3-chloro-2-methylpyridin-4-amine

• ChemBase ID: 159932
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1cnc(c(c1N)Cl)C
• Canonical SMILES: Nc1ccnc(c1Cl)C
• InChI: InChI=1S/C6H7ClN2/c1-4-6(7)5(8)2-3-9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: AGWBEYQZGBQXLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-methylpyridin-4-amine
• IUPAC Traditional name: 3-chloro-2-methylpyridin-4-amine
• Synonyms: 3-Chloro-2-methyl-pyridin-4-ylamine; 4-Amino-3-chloro-2-methylpyridine; 3-chloro-2-methylpyridin-4-amine

Database IDs

• CAS Number: 97944-40-6
• MDL Number: MFCD09702443
• PubChem SID: 162254067
• PubChem CID: 13419573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7515328
• LogD (pH = 7.4): 0.036662467
• Log P: 0.6620623
• Molar Refractivity: 37.9978 cm^3
• Polarizability: 14.228139 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dimethyl Sulfoxide; Ethanol
• Apperance: Orange Solid
• Melting Point: 104-106°C; 110 - 112°C
• Hydrophobicity(logP): 1.653

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

Product Information

• Purity: 95%; 98%