6-fluoropyridine-3-carbonyl chloride

• ChemBase ID: 99418
• Molecular Formular: C6H3ClFNO
• Molecular Mass: 159.5455232
• Monoisotopic Mass: 158.98871962
• SMILES: n1c(ccc(c1)C(=O)Cl)F
• Canonical SMILES: Fc1ccc(cn1)C(=O)Cl
• InChI: InChI=1S/C6H3ClFNO/c7-6(10)4-1-2-5(8)9-3-4/h1-3H
• InChIKey: IPOCOANFUVSCLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridine-3-carbonyl chloride
• IUPAC Traditional name: 6-fluoropyridine-3-carbonyl chloride
• Synonyms: 2-Fluoropyridine-5-carbonyl chloride; 6-Fluoropyridine-3-carbonyl chloride; 5-(Chlorocarbonyl)-2-fluoropyridine; 6-Fluoronicotinoyl chloride; 2-FLUOROPYRIDINE-5-CARBONYL CHLORIDE

Database IDs

• CAS Number: 65352-94-5
• MDL Number: MFCD07781233
• PubChem SID: 162085686
• PubChem CID: 14623602

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: 13.028383 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275-278°C

Safety Information

• Storage Warning: Corrosive/Harmful/Air Sensitive/Moisture Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 98%