2-chloropyridin-3-amine hydrochloride

• ChemBase ID: 812826
• Molecular Formular: C5H6Cl2N2
• Molecular Mass: 165.02054
• Monoisotopic Mass: 163.99080356
• SMILES: Cl.Nc1c(nccc1)Cl
• Canonical SMILES: Nc1cccnc1Cl.Cl
• InChI: InChI=1S/C5H5ClN2.ClH/c6-5-4(7)2-1-3-8-5;/h1-3H,7H2;1H
• InChIKey: NEQIRASUEZEXJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridin-3-amine hydrochloride
• IUPAC Traditional name: 2-chloropyridin-3-amine hydrochloride
• Synonyms: 2-CHLORO-PYRIDIN-3-YL-AMINE HYDROCHLORIDE

Database IDs

• CAS Number: 94770-75-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7508216
• LogD (pH = 7.4): 0.7508687
• Log P: 0.7508693
• Molar Refractivity: 34.4676 cm^3
• Polarizability: 12.521045 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%