4-chloro-6-methylpyridin-2-amine

• ChemBase ID: 70851
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(cc(cc(n1)C)Cl)N
• Canonical SMILES: Clc1cc(C)nc(c1)N
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: IKKMKJOVXQEEHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methylpyridin-2-amine
• IUPAC Traditional name: 4-chloro-6-methylpyridin-2-amine
• Synonyms: 2-Amino-4-chloro-6-picoline

Database IDs

• CAS Number: 36340-61-1
• MDL Number: MFCD00800671
• PubChem SID: 162036559
• PubChem CID: 19050509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3026825
• LogD (pH = 7.4): 1.211062
• Log P: 1.2565198
• Molar Refractivity: 38.3113 cm^3
• Polarizability: 14.219398 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%