5-chloro-2-methylpyridin-3-amine

• ChemBase ID: 290364
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Nc1cc(Cl)cnc1C
• Canonical SMILES: Clc1cnc(c(c1)N)C
• InChI: InChI=1S/C6H7ClN2/c1-4-6(8)2-5(7)3-9-4/h2-3H,8H2,1H3
• InChIKey: ZZVRTFCAHUHTDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methylpyridin-3-amine
• IUPAC Traditional name: 5-chloro-2-methylpyridin-3-amine
• Synonyms: 5-Chloro-2-methylpyridin-3-amine; 3-AMINO-5-CHLORO-2-METHYLPYRIDINE

Database IDs

• CAS Number: 89639-36-1
• PubChem SID: 180675895
• PubChem CID: 18727791

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6260806
• LogD (pH = 7.4): 0.6615888
• Log P: 0.6620623
• Molar Refractivity: 37.9978 cm^3
• Polarizability: 14.227852 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%