2-aminopyridine-3-carbaldehyde hydrochloride

• ChemBase ID: 812581
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Cl.n1c(c(ccc1)C=O)N
• Canonical SMILES: O=Cc1cccnc1N.Cl
• InChI: InChI=1S/C6H6N2O.ClH/c7-6-5(4-9)2-1-3-8-6;/h1-4H,(H2,7,8);1H
• InChIKey: BSXDJXJZYKKYEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyridine-3-carbaldehyde hydrochloride
• IUPAC Traditional name: 2-aminopyridine-3-carbaldehyde hydrochloride
• Synonyms: 2-AMINO-3-PYRIDINECARBOXALDEHYDE HCL

Database IDs

• CAS Number: 7521-41-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46514416
• LogD (pH = 7.4): 0.87434363
• Log P: 0.8836073
• Molar Refractivity: 35.499 cm^3
• Polarizability: 12.474505 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%