2,6-dichloro-4-methylpyridin-3-amine

• ChemBase ID: 87491
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: n1c(c(c(cc1Cl)C)N)Cl
• Canonical SMILES: Clc1cc(C)c(c(n1)Cl)N
• InChI: InChI=1S/C6H6Cl2N2/c1-3-2-4(7)10-6(8)5(3)9/h2H,9H2,1H3
• InChIKey: AULKGEJDEAKINM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methylpyridin-3-amine
• IUPAC Traditional name: 2,6-dichloro-4-methylpyridin-3-amine
• Synonyms: 2,6-Dichloro-4-methylpyridin-3-amine; 3-Amino-2,6-dichloro-4-picoline; 3-Amino-2,6-dichloro-4-methylpyridine; 2,6-dichloro-4-methylpyridin-3-amine

Database IDs

• CAS Number: 129432-25-3
• MDL Number: MFCD01320814
• PubChem SID: 162074534
• PubChem CID: 701012

CALCULATED PROPERTIES

• Molar Refractivity: 45.3749 cm^3
• Polarizability: 16.260078 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0885124
• LogD (pH = 7.4): 2.0885124
• Log P: 2.0885124

PROPERTIES

Physical Property

• Melting Point: 83-85°C
• Hydrophobicity(logP): 2.359

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 95%; 95+%