6-(dimethylamino)pyridine-2-carboxylic acid

• ChemBase ID: 814935
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: OC(=O)c1cccc(n1)N(C)C
• Canonical SMILES: CN(c1cccc(n1)C(=O)O)C
• InChI: InChI=1S/C8H10N2O2/c1-10(2)7-5-3-4-6(9-7)8(11)12/h3-5H,1-2H3,(H,11,12)
• InChIKey: JKGDTVHJRLJIIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)pyridine-2-carboxylic acid
• IUPAC Traditional name: 6-(dimethylamino)pyridine-2-carboxylic acid
• Synonyms: 6-(dimethylamino)picolinic acid

Database IDs

• CAS Number: 30721-88-1

CALCULATED PROPERTIES

• Acid pKa: 1.7286898
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.56248415
• LogD (pH = 7.4): -1.0609318
• Log P: -0.54925835
• Molar Refractivity: 45.5274 cm^3
• Polarizability: 16.616474 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%