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Related Molecules

  • C6H5BrO
    4-bromophenol
  • C7H7ClO
    4-chloro-2-methylphenol
  • C7H7ClO
    4-chloro-3-methylphenol
  • C6H6ClN
    4-chloroaniline
  • C6H5ClO
    4-chlorophenol
  • C9H11NO
    4-dimethylaminobenzaldehyde
  • C8H8O2
    4-methoxybenzaldehyde
  • C8H8O2
    4-methylbenzoic acid
  • C14H22O
    4-octylphenol
  • C10H8N2
    4-pyridin-4-ylpyridine
  • C12H7Cl3O2
    5-chloro-2-2,4-dichlorophenoxy phenol
  • C15H12N2O
    5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • C8H7Cl
    E-2-chloroethenyl benzene
  • C14H12
    E-2-phenylethenyl benzene
  • C8H11N
    N,N-dimethylaniline
  • C6H7N
    Aniline
  • C7H8O
    Anisole
  • C7H6O
    Benzaldehyde
  • C7H7NO
    Benzamide
  • C6H8N2
    Benzene-1,2-diamine
  • C6H6O2
    Benzene-1,2-diol
  • C6H8N2
    Benzene-1,3-diamine
  • C6H6O2
    Benzene-1,3-diol
  • C6H8N2
    Benzene-1,4-diamine
  • C6H6O2
    Benzene-1,4-diol
  • C7H6O2
    Benzoic acid
  • C7H5N
    Benzonitrile
  • C7H5ClO
    Benzoyl chloride
  • C6H5Br
    Bromobenzene
  • C6H5Cl
    Chlorobenzene
  • C8H10O
    Ethoxybenzene
  • C6H5NO2
    Nitrobenzene
  • C6H6O
    Phenol
  • C7H8O
    Phenylmethanol
  • C7H8
    Toluene
  • C19H16
    Triphenylmethane
  • C19H16O
    Triphenylmethanol
  • C19H19N3O
    Tris 4-aminophenyl methanol
  • C25H31N3O
    Tris 4-dimethylaminophenyl methanol
  • C15H13NO4
    4-acetamidophenyl 2-hydroxybenzoate
  • C9H13N
    D-amphetamine
  • C8H9NO2
    N-4-hydroxyphenyl acetamide
  • C19H22N2OS
    Acepromazine
  • C16H13ClN2O
    Diazepam
  • C9H11NO2
    D-phenylalanine
  • C11H12N2O2
    D-tryptophan
  • C9H11NO3
    D-tyrosine
  • C9H10N2O4
    L-4-nitrophenylalanine
  • C9H11NO2
    L-phenylalanine
  • C11H12N2O2
    L-tryptophan
  • C9H11NO3
    L-tyrosine
  • C8H7Cl
    1-chloro-2-ethenylbenzene
  • C7H7ClO
    1-chloro-2-methoxybenzene
  • C7H7ClO
    1-chloro-3-methoxybenzene
  • C7H7ClO
    1-chloro-4-methoxybenzene
  • C10H12O
    1-phenylbutan-1-one
  • C9H8N2
    1H-1,2-benzodiazepine
  • C9H8N2
    1H-1,4-benzodiazepine
  • C14H14O2
    1S,2R-1,2-diphenylethane-1,2-diol
  • C8H10
    1,2-xylene
  • C8H10
    1,3-xylene
  • C7H5Cl3O
    1,3,5-trichloro-2-methoxy-benzene
  • C9H12
    1,3,5-trimethylbenzene
  • C8H10
    1,4-xylene
  • C6H5BrO
    2-bromophenol
  • C6H5ClN2O2
    2-chloro-4-nitroaniline
  • C7H7ClO
    2-chloro-5-methylphenol
  • C6H5ClO
    2-chlorophenol
  • C7H6O2
    2-hydroxybenzaldehyde
  • C8H8O2
    2-phenylacetic acid
  • C8H10O
    2-phenylethanol
  • C10H8N2
    2-pyridin-2-ylpyridine
  • C12H15NO3
    2,2-dimethyl-3H-benzofuran-7-yl N-methylcarbamate
  • C8H10O
    2,3-dimethylphenol
  • C6HCl5O
    2,3,4,5,6-pentachlorophenol
  • C7H10N2
    2,4-diaminotoluene
  • C8H10O
    2,4-dimethylphenol
  • C6H3Cl3O
    2,4,6-trichlorophenol
  • C9H13N
    2,4,6-trimethylaniline
  • C7H5N3O6
    2,4,6-trinitrotoluene
  • C8H10O
    2,5-dimethylphenol
  • C7H10N2
    2,6-diaminotoluene
  • C8H10O
    2,6-dimethylphenol
  • C6H5BrO
    3-bromophenol
  • C6H5ClO
    3-chlorophenol
  • C10H8N2
    3-pyridin-3-ylpyridine
  • C8H10O
    3,4-dimethylphenol
  • C8H10O
    3,5-dimethylphenol
  • C10H13BrO
    4-bromo-5-methyl-2-propan-2-ylphenol
  • C4H4O
    Furan
  • C3H4N2
    1H-pyrazole
  • C4H5N
    1H-pyrrole
  • C3H3NO
    1,2-oxazole
  • C3H3NS
    1,2-thiazole
  • C3H3NO
    1,3-oxazole
  • C3H3NS
    1,3-thiazole
  • C6H6N2O
    Isonicotinamide
  • C6H5NO2
    Isonicotinic acid
  • C5H5N
    Pyridine
  • C5H5N5O
    Guanine
  • C9H8
    1H-indene
  • C8H7N
    1H-indole
  • C5H4N4
    7H-purine
  • C12H9N
    9H-carbazole
  • C13H10
    9H-fluorene
  • C13H10O
    9H-xanthene
  • C20H14N4
    Porphin
  • C5H6N2O2
    Thymine
  • C12H8N2
    1,10-phenanthroline
  • C8H6N2
    1,8-naphthyridine
  • C10H8O2
    2-Benzofuranyl methyl ketone
  • C9H8O
    2H-chromene
  • C9H8O
    4H-chromene
  • C19H16O4
    D-warfarin
  • C10H9NO3
    N-2-hydroxyethylphthalimide
  • C12H10
    Acenaphthene
  • C12H6O2
    Acenaphthenequinone
  • C12H8
    Acenaphthylene
  • C13H9N
    Acridine
  • C14H10
    Anthracene
  • C8H6O
    Benzofuran
  • C8H6S
    Benzothiophene
  • C8H10N4O2
    Caffeine
  • C9H6O2
    Chromone
  • C8H6N2
    Cinnoline
  • C9H6O2
    Coumarin
  • C9H7N
    Isoquinoline
  • C10H8
    Naphthalene
  • C14H10
    Phenanthrene
  • C8H5NO2
    Phthalimide
  • C8H6N2
    Quinazoline
  • C9H7N
    Quinoline
  • C10H12
    Tetralin
  • C5H4N4O3
    Uric acid
  • C6H6O3S
    Benzenesulfonic acid
  • C7H8O3S
    P-toluenesulfonic acid
  • C4H4S
    Thiophene
  • C6H6
    Benzene
Isonicotinic acid C6H5NO2
×

    

Display







Molecular Electrostatic Potential (MEP)

Molecular Vibrations

Molecular Orbitals

Smiles: c1cc(ccn1)C(=O)O
Mol. Weight: 123.109
IUPAC name: isonicotinic acid
Charge: 0
InChi: 1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
Link to:Pubchem CID:5922

Additional Information

The molecular structure has been optimized at the B3LYP/6-31g* level of theory. Charges used for electrostatic maps are computed using the NBO method. The molecular vibrations are the eigenvectors of the Hessian of the potential.

The symmetry group was detected using Serguei Patchkovskii's code (http://www.cobalt.chem.ucalgary.ca/ps/symmetry/)

Most of the Jmol drawing capabilities (Symmetry, Electrostatic Maps, Vibrations and others) are developed by Bob Hanson and the Jmol community of developers.

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