(5-chloropyridin-2-yl)methanamine

• ChemBase ID: 247185
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(ccc(c1)Cl)CN
• Canonical SMILES: NCc1ccc(cn1)Cl
• InChI: InChI=1S/C6H7ClN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3,8H2
• InChIKey: KQJKUOYVWLBSDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-chloropyridin-2-yl)methanamine
• IUPAC Traditional name: (5-chloropyridin-2-yl)methanamine
• Synonyms: (5-chloropyridin-2-yl)methanamine

Database IDs

• CAS Number: 67938-76-5
• MDL Number: MFCD10697658
• PubChem SID: 164303095
• PubChem CID: 21069929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1477103
• LogD (pH = 7.4): -0.5593929
• Log P: 0.5668584
• Molar Refractivity: 36.6571 cm^3
• Polarizability: 14.677322 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.394

Product Information

• Purity: 95%; 95+%; 98%