2-(4-chlorophenoxy)pyridine-3-carbonyl chloride

• ChemBase ID: 79253
• Molecular Formular: C12H7Cl2NO2
• Molecular Mass: 268.09548
• Monoisotopic Mass: 266.98538383
• SMILES: O(c1c(cccn1)C(=O)Cl)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)Oc1ncccc1C(=O)Cl
• InChI: InChI=1S/C12H7Cl2NO2/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H
• InChIKey: CAEKTJMKOZHNPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenoxy)pyridine-3-carbonyl chloride
• IUPAC Traditional name: 2-(4-chlorophenoxy)pyridine-3-carbonyl chloride
• Synonyms: 2-(4-Chlorophenoxy)pyridine-3-carbonyl chloride

Database IDs

• CAS Number: 51362-50-6
• MDL Number: MFCD00067837
• PubChem SID: 162044016
• PubChem CID: 2774898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6452708
• LogD (pH = 7.4): 3.6452754
• Log P: 3.6452754
• Molar Refractivity: 66.3749 cm^3
• Polarizability: 25.429096 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive