5,6-dimethylpyridine-3-carboxylic acid

• ChemBase ID: 309434
• Molecular Formular: C8H9NO2
• Molecular Mass: 151.16256
• Monoisotopic Mass: 151.06332853
• SMILES: c1(C(=O)O)cc(c(nc1)C)C
• Canonical SMILES: OC(=O)c1cnc(c(c1)C)C
• InChI: InChI=1S/C8H9NO2/c1-5-3-7(8(10)11)4-9-6(5)2/h3-4H,1-2H3,(H,10,11)
• InChIKey: OTLMJDZYTWGGGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylpyridine-3-carboxylic acid
• IUPAC Traditional name: 5,6-dimethylpyridine-3-carboxylic acid
• Synonyms: 5,6-dimethylnicotinic acid

Database IDs

• CAS Number: 757903-81-4
• MDL Number: MFCD13181797

CALCULATED PROPERTIES

• Molar Refractivity: 40.79 cm^3
• Polarizability: 15.305708 Å^3
• Polar Surface Area: 50.19 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.631016
• LogD (pH = 7.4): -1.6437207
• Log P: -0.5671699