6-amino-2-methylpyridine-3-carboxylic acid

• ChemBase ID: 77909
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: n1c(c(ccc1N)C(=O)O)C
• Canonical SMILES: Cc1nc(N)ccc1C(=O)O
• InChI: InChI=1S/C7H8N2O2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)(H,10,11)
• InChIKey: TZZLIARCVQOPQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-methylpyridine-3-carboxylic acid
• IUPAC Traditional name: 6-amino-2-methylpyridine-3-carboxylic acid
• Synonyms: 6-Amino-2-methylpyridine-3-carboxylic acid; 6-Amino-2-methylnicotinic acid

Database IDs

• CAS Number: 680208-82-6
• PubChem SID: 162104390
• PubChem CID: 28875529

CALCULATED PROPERTIES

• Acid pKa: 2.0736768
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8710159
• LogD (pH = 7.4): -2.093992
• Log P: -1.8681527
• Molar Refractivity: 40.7627 cm^3
• Polarizability: 14.7111025 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%