2-chloro-5-(trifluoromethoxy)pyridine

• ChemBase ID: 237642
• Molecular Formular: C6H3ClF3NO
• Molecular Mass: 197.5423296
• Monoisotopic Mass: 196.98552606
• SMILES: C(Oc1cnc(Cl)cc1)(F)(F)F
• Canonical SMILES: Clc1ccc(cn1)OC(F)(F)F
• InChI: InChI=1S/C6H3ClF3NO/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H
• InChIKey: PONLSAHALFQCNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(trifluoromethoxy)pyridine
• IUPAC Traditional name: 2-chloro-5-(trifluoromethoxy)pyridine
• Synonyms: 2-chloro-5-(trifluoromethoxy)pyridine

Database IDs

• MDL Number: MFCD18257007
• PubChem SID: 164293552
• PubChem CID: 22000229

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0109043
• LogD (pH = 7.4): 3.0109067
• Log P: 3.010907
• Molar Refractivity: 32.8375 cm^3
• Polarizability: 13.591518 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.928

Product Information

• Purity: 95%