2-chloropyridin-4-amine hydrochloride

• ChemBase ID: 812830
• Molecular Formular: C5H6Cl2N2
• Molecular Mass: 165.02054
• Monoisotopic Mass: 163.99080356
• SMILES: Cl.n1c(cc(cc1)N)Cl
• Canonical SMILES: Nc1ccnc(c1)Cl.Cl
• InChI: InChI=1S/C5H5ClN2.ClH/c6-5-3-4(7)1-2-8-5;/h1-3H,(H2,7,8);1H
• InChIKey: ZZCPJLPRYOQGNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridin-4-amine hydrochloride
• IUPAC Traditional name: 2-chloropyridin-4-amine hydrochloride
• Synonyms: 2-CHLOROPYRIDIN-4-AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 2897-42-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.63790977
• LogD (pH = 7.4): 0.7492322
• Log P: 0.7508693
• Molar Refractivity: 34.4676 cm^3
• Polarizability: 12.515003 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%