pyridine-3-carboxamide hydrochloride

• ChemBase ID: 102651
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Cl.NC(=O)c1cccnc1
• Canonical SMILES: NC(=O)c1cccnc1.Cl
• InChI: InChI=1S/C6H6N2O.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H,(H2,7,9);1H
• InChIKey: OBLVPWTUALCMGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: nicotinamide hydrochloride
• Synonyms: NIACINAMIDE HYDROCHLORIDE

Database IDs

• PubChem SID: 162105689
• PubChem CID: 91408

CALCULATED PROPERTIES

• Acid pKa: 13.385762
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39905858
• LogD (pH = 7.4): -0.39385277
• Log P: -0.3937863
• Molar Refractivity: 32.9795 cm^3
• Polarizability: 12.277602 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02102443

Hydrochloride
Crystalline