(3-chloropyridin-4-yl)methanamine

• ChemBase ID: 815472
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: C(N)c1c(cncc1)Cl
• Canonical SMILES: NCc1ccncc1Cl
• InChI: InChI=1S/C6H7ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2
• InChIKey: AAEMFCVTGBYCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropyridin-4-yl)methanamine
• IUPAC Traditional name: (3-chloropyridin-4-yl)methanamine
• Synonyms: (3-chloropyridin-4-yl)methanamine

Database IDs

• CAS Number: 870063-65-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4192507
• LogD (pH = 7.4): -1.1055094
• Log P: 0.4853865
• Molar Refractivity: 37.1793 cm^3
• Polarizability: 14.680293 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%