2-aminopyridine-3-carboxamide hydrochloride

• ChemBase ID: 265572
• Molecular Formular: C6H8ClN3O
• Molecular Mass: 173.60022
• Monoisotopic Mass: 173.03558957
• SMILES: c1(C(=O)N)c(nccc1)N.Cl
• Canonical SMILES: NC(=O)c1cccnc1N.Cl
• InChI: InChI=1S/C6H7N3O.ClH/c7-5-4(6(8)10)2-1-3-9-5;/h1-3H,(H2,7,9)(H2,8,10);1H
• InChIKey: JXJFVVVTJFMUGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: 2-aminopyridine-3-carboxamide hydrochloride
• Synonyms: 2-aminopyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD15209550
• PubChem SID: 164321482
• PubChem CID: 21530461

CALCULATED PROPERTIES

• Acid pKa: 13.834847
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2729543
• LogD (pH = 7.4): 0.016294776
• Log P: 0.021745259
• Molar Refractivity: 37.9934 cm^3
• Polarizability: 13.438274 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): 0.112

Product Information

• Purity: 95%