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

• ChemBase ID: 814365
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(N)c1ncc(c(c1)Cl)C
• Canonical SMILES: NCc1ncc(c(c1)Cl)C
• InChI: InChI=1S/C7H9ClN2/c1-5-4-10-6(3-9)2-7(5)8/h2,4H,3,9H2,1H3
• InChIKey: FDGQAOLDLLSLSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196155-70-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6149279
• LogD (pH = 7.4): -0.012549742
• Log P: 1.0802798
• Molar Refractivity: 41.6983 cm^3
• Polarizability: 16.427412 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%