2-chloro-6-methoxy-4-(trifluoromethyl)pyridine

• ChemBase ID: 53945
• Molecular Formular: C7H5ClF3NO
• Molecular Mass: 211.5689096
• Monoisotopic Mass: 211.00117613
• SMILES: c1c(nc(cc1C(F)(F)F)OC)Cl
• Canonical SMILES: COc1nc(Cl)cc(c1)C(F)(F)F
• InChI: InChI=1S/C7H5ClF3NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3
• InChIKey: FWEFQJNETFIPKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxy-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-6-methoxy-4-(trifluoromethyl)pyridine
• Synonyms: 2-Chloro-6-methoxy-4-trifluoromethyl-pyridine

Database IDs

• MDL Number: MFCD11845745
• PubChem SID: 162058708
• PubChem CID: 56832314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.89443
• LogD (pH = 7.4): 2.89443
• Log P: 2.89443
• Molar Refractivity: 42.5176 cm^3
• Polarizability: 15.345288 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%