6-chloro-5-methylpyridin-2-amine

• ChemBase ID: 68328
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(ccc(c(n1)Cl)C)N
• Canonical SMILES: Nc1ccc(c(n1)Cl)C
• InChI: InChI=1S/C6H7ClN2/c1-4-2-3-5(8)9-6(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: KPZRCZMNXPBHEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methylpyridin-2-amine
• IUPAC Traditional name: 6-chloro-5-methylpyridin-2-amine
• Synonyms: 6-Chloro-5-methylpyridin-2-amine

Database IDs

• CAS Number: 442129-37-5
• MDL Number: MFCD13193513
• PubChem SID: 162034060
• PubChem CID: 45079594

CALCULATED PROPERTIES

• Log P: 1.8587482
• Molar Refractivity: 39.8223 cm^3
• Polarizability: 14.275812 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8560282
• LogD (pH = 7.4): 1.8587139

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%