(2-chloropyridin-3-yl)methanamine

• ChemBase ID: 799119
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: C(N)c1c(nccc1)Cl
• Canonical SMILES: NCc1cccnc1Cl
• InChI: InChI=1S/C6H7ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2
• InChIKey: LTUCSFLPOBNIHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloropyridin-3-yl)methanamine
• IUPAC Traditional name: (2-chloropyridin-3-yl)methanamine
• Synonyms: (2-chloropyridin-3-yl)methanamine

Database IDs

• CAS Number: 205744-14-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.17114
• LogD (pH = 7.4): -0.7911786
• Log P: 0.70556366
• Molar Refractivity: 38.2406 cm^3
• Polarizability: 14.727381 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%