4-Methylpyridine-2-carboxylic acid

C₇H₇NO₂CAS 4021-08-3137.14 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₇NO₂
Molar mass: 137.14 g/mol
Exact mass: 137.0477 Da
logP: 1.09Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

4021-08-3

SMILES

CC1=CC(=NC=C1)C(=O)O

InChIKey

CMMURVLHXMNTHY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO2/c1-5-2-3-8-6(4-5)7(9)10/h2-4H,1H3,(H,9,10)

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Names and synonyms

1 names

4-Methyl-pyridine-2-carboxylic acid

Work with 4-Methylpyridine-2-carboxylic 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

Lutidinic acid499-80-963 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-961 % similar 2-Acetyl-4-methylpyridine59576-26-061 % similar 4-Aminopicolinic acid100047-36-759 % similar 4-Bromopyridine-2-carboxylic acid30766-03-159 % similar 4-Iodopyridine-2-carboxylic acid405939-79-959 % similar 4-Chloropyridine-2-carboxylic acid5470-22-459 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-459 % 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 5-Methoxypicolinaldehyde22187-96-8 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3

Elsewhere

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