2-fluoropyridine-4-carbonyl chloride

• ChemBase ID: 54155
• Molecular Formular: C6H3ClFNO
• Molecular Mass: 159.5455232
• Monoisotopic Mass: 158.98871962
• SMILES: c1cnc(cc1C(=O)Cl)F
• Canonical SMILES: Fc1nccc(c1)C(=O)Cl
• InChI: InChI=1S/C6H3ClFNO/c7-6(10)4-1-2-9-5(8)3-4/h1-3H
• InChIKey: BWRHCKQYCOWAAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoropyridine-4-carbonyl chloride
• IUPAC Traditional name: 2-fluoropyridine-4-carbonyl chloride
• Synonyms: 2-Fluoro-isonicotinoyl chloride

Database IDs

• CAS Number: 65352-95-6
• MDL Number: MFCD11227178
• PubChem SID: 162058918
• PubChem CID: 14303434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4831185
• LogD (pH = 7.4): 1.4831185
• Log P: 1.4831185
• Molar Refractivity: 36.2469 cm^3
• Polarizability: 13.028872 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%+