(5-chloro-2-methylpyridin-4-yl)methanamine

• ChemBase ID: 813675
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1cc(ncc1Cl)C
• Canonical SMILES: NCc1cc(C)ncc1Cl
• InChI: InChI=1S/C7H9ClN2/c1-5-2-6(3-9)7(8)4-10-5/h2,4H,3,9H2,1H3
• InChIKey: CPAZCMWVEQCPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloro-2-methylpyridin-4-yl)methanamine
• IUPAC Traditional name: (5-chloro-2-methylpyridin-4-yl)methanamine
• Synonyms: (5-chloro-2-methylpyridin-4-yl)methanamine

Database IDs

• CAS Number: 1060810-04-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3013403
• LogD (pH = 7.4): -1.02547
• Log P: 0.6167567
• Molar Refractivity: 41.7708 cm^3
• Polarizability: 16.439085 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%