(3-chloropyridin-2-yl)methanamine

• ChemBase ID: 799178
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: C(N)c1ncccc1Cl
• Canonical SMILES: NCc1ncccc1Cl
• InChI: InChI=1S/C6H7ClN2/c7-5-2-1-3-9-6(5)4-8/h1-3H,4,8H2
• InChIKey: QPRZPKGMUJBNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropyridin-2-yl)methanamine
• IUPAC Traditional name: (3-chloropyridin-2-yl)methanamine
• Synonyms: (3-chloropyridin-2-yl)methanamine

Database IDs

• CAS Number: 500305-98-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0224726
• LogD (pH = 7.4): -0.3656129
• Log P: 0.5668584
• Molar Refractivity: 36.6571 cm^3
• Polarizability: 14.681422 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%