chempirical

4-Pyridineacetic acid

C7H7NO2CAS 28356-58-3137.14 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
141 °C (decomposes)
logP
0.71Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
28356-58-3
SMILES
O=C(O)Cc1ccncc1
InChIKey
PAEXAIBDCHBNDC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c9-7(10)5-6-1-3-8-4-2-6/h1-4H,5H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 4-Pyridylacetic acid
  • 4-Carboxymethylpyridine
  • (4-Pyridinyl)acetic acid
  • 2-(Pyridin-4-yl)acetic acid

Work with 4-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

4-Pyridylacetic acid hydrochloride6622-91-988 % similar 1,4-Benzenediacetic acid7325-46-471 % similar Phenylacetic acid103-82-263 % similar 4-Mercaptophenylacetic acid39161-84-762 % similar 3-Pyridineacetic acid501-81-561 % similar 4-Hydroxyphenylacetic acid156-38-759 % similar 4-(Bromomethyl)phenylacetic acid13737-36-557 % similar 4-Iodophenylacetic acid1798-06-757 % 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 5-Methylnicotinic acid3222-49-9 4-Methylnicotinic acid3222-50-2

Elsewhere

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