6-aminopyridine-3-carbaldehyde hydrochloride

• ChemBase ID: 292308
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: O=Cc1cnc(N)cc1.Cl
• Canonical SMILES: O=Cc1ccc(nc1)N.Cl
• InChI: InChI=1S/C6H6N2O.ClH/c7-6-2-1-5(4-9)3-8-6;/h1-4H,(H2,7,8);1H
• InChIKey: HWMXZDKTFAIWET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-3-carbaldehyde hydrochloride
• IUPAC Traditional name: 6-aminopyridine-3-carbaldehyde hydrochloride
• Synonyms: 6-Aminonicotinaldehyde hydrochloride

Database IDs

• CAS Number: 1060811-24-6
• PubChem SID: 180677839
• PubChem CID: 71720939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.072016895
• LogD (pH = 7.4): 0.22786704
• Log P: 0.2336073
• Molar Refractivity: 35.499 cm^3
• Polarizability: 12.472967 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%