2-chloro-4-(trifluoromethoxy)pyridine

• ChemBase ID: 237644
• Molecular Formular: C6H3ClF3NO
• Molecular Mass: 197.5423296
• Monoisotopic Mass: 196.98552606
• SMILES: C(Oc1cc(ncc1)Cl)(F)(F)F
• Canonical SMILES: Clc1nccc(c1)OC(F)(F)F
• InChI: InChI=1S/C6H3ClF3NO/c7-5-3-4(1-2-11-5)12-6(8,9)10/h1-3H
• InChIKey: FDLBKOZVASUZBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(trifluoromethoxy)pyridine
• IUPAC Traditional name: 2-chloro-4-(trifluoromethoxy)pyridine
• Synonyms: 2-chloro-4-(trifluoromethoxy)pyridine

Database IDs

• MDL Number: MFCD20492606
• PubChem SID: 164293554
• PubChem CID: 49871752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0108232
• LogD (pH = 7.4): 3.0109057
• Log P: 3.010907
• Molar Refractivity: 32.8375 cm^3
• Polarizability: 13.595408 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%