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

• ChemBase ID: 241184
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: n1c(c(cc(c1)Cl)Cl)NC
• Canonical SMILES: CNc1ncc(cc1Cl)Cl
• InChI: InChI=1S/C6H6Cl2N2/c1-9-6-5(8)2-4(7)3-10-6/h2-3H,1H3,(H,9,10)
• InChIKey: RZQVKCDLRMMEPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-N-methylpyridin-2-amine
• IUPAC Traditional name: 3,5-dichloro-N-methylpyridin-2-amine
• Synonyms: 3,5-dichloro-N-methylpyridin-2-amine

Database IDs

• MDL Number: MFCD09745416
• PubChem SID: 164297094
• PubChem CID: 23423792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0297685
• LogD (pH = 7.4): 2.0308843
• Log P: 2.0308983
• Molar Refractivity: 44.018 cm^3
• Polarizability: 16.24414 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.719

Product Information

• Purity: 95%