4-chloro-5-methylpyridin-2-amine

• ChemBase ID: 290044
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: Cc1cnc(N)cc1Cl
• Canonical SMILES: Nc1ncc(c(c1)Cl)C
• InChI: InChI=1S/C6H7ClN2/c1-4-3-9-6(8)2-5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: LXLJJADZPBGRJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-methylpyridin-2-amine
• IUPAC Traditional name: 4-chloro-5-methylpyridin-2-amine
• Synonyms: 4-Chloro-5-methylpyridin-2-amine

Database IDs

• CAS Number: 1033203-31-4
• PubChem SID: 180675575
• PubChem CID: 20612505

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.024747
• LogD (pH = 7.4): 1.6200265
• Log P: 1.638571
• Molar Refractivity: 38.761 cm^3
• Polarizability: 14.218308 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%