3,5-dichloro-4-methylpyridin-2-amine

• ChemBase ID: 231052
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: c1(c(c(ncc1Cl)N)Cl)C
• Canonical SMILES: Clc1cnc(c(c1C)Cl)N
• InChI: InChI=1S/C6H6Cl2N2/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3,(H2,9,10)
• InChIKey: KARIRGBBCOCBGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-methylpyridin-2-amine
• IUPAC Traditional name: 3,5-dichloro-4-methylpyridin-2-amine
• Synonyms: 3,5-Dichloro-4-methyl-pyridin-2-ylamine; 2-AMINO-3,5-DICHLORO-4-METHYLPYRIDINE

Database IDs

• CAS Number: 31430-47-4
• MDL Number: MFCD00129031
• PubChem SID: 164286962
• PubChem CID: 318187

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.221668
• LogD (pH = 7.4): 2.242345
• Log P: 2.2426157
• Molar Refractivity: 43.5658 cm^3
• Polarizability: 16.169043 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 2.409

Product Information

• Purity: 95%; 98%