2-chloro-4,6-dimethylpyridin-3-amine

• ChemBase ID: 114706
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: c1(nc(cc(c1N)C)C)Cl
• Canonical SMILES: Cc1cc(C)c(c(n1)Cl)N
• InChI: InChI=1S/C7H9ClN2/c1-4-3-5(2)10-7(8)6(4)9/h3H,9H2,1-2H3
• InChIKey: PDPCDUNCJYNCDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethylpyridin-3-amine
• IUPAC Traditional name: 2-chloro-4,6-dimethylpyridin-3-amine
• Synonyms: 2-Chloro-4,6-dimethyl-pyridin-3-ylamine; 2-chloro-4,6-dimethylpyridin-3-amine

Database IDs

• CAS Number: 140413-40-7
• MDL Number: MFCD08273051
• PubChem SID: 162100039
• PubChem CID: 10511120

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.3944108
• LogD (pH = 7.4): 1.3956451
• Log P: 1.3956609
• Molar Refractivity: 44.1003 cm^3
• Polarizability: 16.037653 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Partition Coefficient: 1.589
• Hydrophobicity(logP): 2.102

Product Information

• Purity: 95%; 95+%