6-chloro-N-methylpyridin-3-amine

• ChemBase ID: 802317
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1cc(ccc1Cl)NC
• Canonical SMILES: CNc1ccc(nc1)Cl
• InChI: InChI=1S/C6H7ClN2/c1-8-5-2-3-6(7)9-4-5/h2-4,8H,1H3
• InChIKey: LFRYVKXHKZPNED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methylpyridin-3-amine
• IUPAC Traditional name: 6-chloro-N-methylpyridin-3-amine
• Synonyms: 6-CHLORO-N-METHYL-3-PYRIDINAMINE

Database IDs

• CAS Number: 120739-84-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0525354
• LogD (pH = 7.4): 1.0525728
• Log P: 1.0525733
• Molar Refractivity: 39.961 cm^3
• Polarizability: 14.33846 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%