6-(methylamino)pyridine-3-carboxylic acid

• ChemBase ID: 260897
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1(C(=O)O)cnc(NC)cc1
• Canonical SMILES: CNc1ccc(cn1)C(=O)O
• InChI: InChI=1S/C7H8N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
• InChIKey: YDKUKBAONMWJHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methylamino)pyridine-3-carboxylic acid
• IUPAC Traditional name: 6-(methylamino)pyridine-3-carboxylic acid
• Synonyms: 6-(methylamino)pyridine-3-carboxylic acid

Database IDs

• MDL Number: MFCD11132022
• PubChem SID: 164316807
• PubChem CID: 22271415

CALCULATED PROPERTIES

• Acid pKa: 1.9785798
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2367882
• LogD (pH = 7.4): -2.0322423
• Log P: -1.202768
• Molar Refractivity: 41.6646 cm^3
• Polarizability: 14.782098 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 1.324

Product Information

• Purity: 95%