chempirical

3-Pyridineacetic acid

C7H7NO2CAS 501-81-5137.14 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Melting point
144 °C
logP
0.71Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
501-81-5
SMILES
O=C(O)Cc1cccnc1
InChIKey
WGNUNYPERJMVRM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)

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Names and synonyms

14 names · show all
  • 3-Pyridylacetic acid
  • Toneon
  • Coletin
  • Lessterol
  • Lioxone
  • Minedil
  • Piridil
  • Piristerol
  • 2-(3-Pyridyl)acetic acid
  • α-(3-Pyridyl)acetic acid
  • Pyridin-3-ylacetic acid
  • 2-(Pyridin-3-yl)acetic acid
  • 3-Carboxymethylpyridine
  • NSC 70769

Work with 3-Pyridineacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Pyridylacetic acid hydrochloride6419-36-990 % similar 3-Pyridinepropanoic acid3724-19-470 % similar Phenylacetic acid103-82-260 % similar 1,3-Benzenediacetic acid19806-17-858 % similar 4-Pyridylacetic acid hydrochloride6622-91-956 % similar 1,4-Benzenediacetic acid7325-46-455 % similar Ethyl 3-pyridineacetate39931-77-651 % similar 3-Pyridinemethanol100-55-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9

Elsewhere

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