(6-chloropyridin-2-yl)methanamine

• ChemBase ID: 799120
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: C(N)c1nc(ccc1)Cl
• Canonical SMILES: NCc1cccc(n1)Cl
• InChI: InChI=1S/C6H7ClN2/c7-6-3-1-2-5(4-8)9-6/h1-3H,4,8H2
• InChIKey: MYXAPCZSRSQZHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyridin-2-yl)methanamine
• IUPAC Traditional name: (6-chloropyridin-2-yl)methanamine
• Synonyms: (6-chloropyridin-2-yl)methanamine

Database IDs

• CAS Number: 188637-75-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9281323
• LogD (pH = 7.4): -0.3402775
• Log P: 0.7870356
• Molar Refractivity: 37.7184 cm^3
• Polarizability: 14.724469 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%