(4-chloro-6-methylpyridin-3-yl)methanamine

• ChemBase ID: 813677
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1cnc(cc1Cl)C
• Canonical SMILES: Cc1cc(Cl)c(cn1)CN
• InChI: InChI=1S/C7H9ClN2/c1-5-2-7(8)6(3-9)4-10-5/h2,4H,3,9H2,1H3
• InChIKey: RJSKJIXNPPEODQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-6-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (4-chloro-6-methylpyridin-3-yl)methanamine
• Synonyms: (4-chloro-6-methylpyridin-3-yl)methanamine

Database IDs

• CAS Number: 1060810-06-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2725854
• LogD (pH = 7.4): -0.91737586
• Log P: 0.6167567
• Molar Refractivity: 41.7708 cm^3
• Polarizability: 16.43102 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%