3,5-dichloro-6-methylpyridin-2-amine

• ChemBase ID: 18846
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: c1(c(cc(c(n1)C)Cl)Cl)N
• Canonical SMILES: Clc1cc(Cl)c(nc1C)N
• InChI: InChI=1S/C6H6Cl2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
• InChIKey: NQYNSMVHXHIGHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-6-methylpyridin-2-amine
• IUPAC Traditional name: 3,5-dichloro-6-methylpyridin-2-amine
• Synonyms: 2-Amino-3,5-dichloro-6-methylpyridine; 6-Amino-3,5-dichloro-2-methylpyridine; 3,5-Dichloro-6-methyl-pyridin-2-ylamine

Database IDs

• CAS Number: 22137-52-6
• MDL Number: MFCD00129029
• PubChem SID: 160982153
• PubChem CID: 1415863

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8489684
• LogD (pH = 7.4): 1.8604165
• Log P: 1.8605645
• Molar Refractivity: 43.1161 cm^3
• Polarizability: 16.166399 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 2.409

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%