4-Hydroxy-6-methyl-nicotinic acid

C₇H₇NO₃CAS 67367-33-3153.14 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₇NO₃
Molar mass: 153.14 g/mol
Exact mass: 153.0426 Da
logP: 0.38Crippen estimate
Polar surface area: 70.2 Å²
H-bond donors / acceptors: 2 / 2
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

67367-33-3

SMILES

CC1=CC(=O)C(=CN1)C(=O)O

InChIKey

AOJLDZLRTUWFFY-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3/c1-4-2-6(9)5(3-8-4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Hydroxy-6-methylnicotinic acid

Work with 4-Hydroxy-6-methyl-nicotinic 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

6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-449 % similar 2,5-Dimethylpyrrole-3-carboxylic acid57338-76-849 % similar 4-Hydroxynicotinic acid609-70-149 % similar 4-Methylpyrrole-2-carboxylic acid18711-59-647 % similar 2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid70785-61-447 % similar 2,5-Dimethylterephthalic acid6051-66-744 % similar 4,6-Dimethylisophthalic acid2790-09-243 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-942 % similar

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

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook