5-chloro-3-methylpyridin-2-amine

• ChemBase ID: 21421
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(c(cc(cn1)Cl)C)N
• Canonical SMILES: Clc1cnc(c(c1)C)N
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3,(H2,8,9)
• InChIKey: QTZBTBLHYPSFMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-methylpyridin-2-amine
• IUPAC Traditional name: 5-chloro-3-methylpyridin-2-amine
• Synonyms: 2-Amino-3-methyl-5-chloropyridine; 2-Amino-5-chloro-3-methylpyridine; 2-AMINO-5-CHLORO-3-PICOLINE

Database IDs

• CAS Number: 20712-16-7
• MDL Number: MFCD00129030
• PubChem SID: 160984728
• PubChem CID: 350232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4460057
• LogD (pH = 7.4): 1.6354741
• Log P: 1.638571
• Molar Refractivity: 38.761 cm^3
• Polarizability: 14.218244 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%