5-chloro-4-methylpyridin-2-amine

• ChemBase ID: 64731
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(cc(c(c1)Cl)C)N
• Canonical SMILES: Nc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: DGRCJSWXMGENMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-methylpyridin-2-amine
• IUPAC Traditional name: 5-chloro-4-methylpyridin-2-amine
• Synonyms: 2-Amino-5-chloro-4-methylpyridine; 5-Chloro-4-methylpyridin-2-amine; 2-Amino-5-chloro-4-picoline; 2-Amino-5-chloro-4-picoline

Database IDs

• CAS Number: 36936-27-3
• MDL Number: MFCD06410759
• PubChem SID: 162030470
• PubChem CID: 318186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2051847
• LogD (pH = 7.4): 1.6287585
• Log P: 1.638571
• Molar Refractivity: 38.761 cm^3
• Polarizability: 14.216025 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%