2,4-Dihydroxy-6-methylpyridine-3-carboxylic acid

C₇H₇NO₄CAS 846557-80-0169.14 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₇H₇NO₄
Molar mass: 169.14 g/mol
Exact mass: 169.0375 Da
logP: 0.09Crippen estimate
Polar surface area: 90.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

846557-80-0

SMILES

CC1=CC(=C(C(=O)N1)C(=O)O)O

InChIKey

AEZBEQWWMNSAGB-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO4/c1-3-2-4(9)5(7(11)12)6(10)8-3/h2H,1H3,(H,11,12)(H2,8,9,10)

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Names and synonyms

1 names

2,4-Dihydroxy-6-methylnicotinic acid

Work with 2,4-Dihydroxy-6-methylpyridine-3-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

Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-358 % similar 2,6-Dihydroxy-4-methylbenzoic acid480-67-153 % similar Phloroglucinol carboxylic acid83-30-747 % similar 4-Hydroxy-6-methyl-3-nitro-2-pyridone4966-90-947 % similar 3,5-Dimethylpyrrole-2-carboxylic acid4513-93-346 % similar 2,5-Dimethylpyrrole-3-carboxylic acid57338-76-846 % similar 2,4,6-Trihydroxybenzoic acid monohydrate71989-93-044 % similar 4-Methylsalicylic acid50-85-141 % similar

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

Same formula

4-Methoxy-3-nitrophenol15174-02-4 4-Methoxy-2-nitrophenol1568-70-3 3-Methoxy-4-nitrophenol16292-95-8 2-Methoxy-4-nitrophenol3251-56-7 N-Succinimidyl acrylate38862-24-7 4-Hydroxy-3-nitrobenzyl alcohol41833-13-0 3,4,5-Trihydroxybenzamide618-73-5 5-Nitroguaiacol636-93-1

Elsewhere

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