3-chloro-4-fluoropyridine

• ChemBase ID: 95147
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: n1cc(c(cc1)F)Cl
• Canonical SMILES: Fc1ccncc1Cl
• InChI: InChI=1S/C5H3ClFN/c6-4-3-8-2-1-5(4)7/h1-3H
• InChIKey: UKQHXVNMBBOXMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-fluoropyridine
• IUPAC Traditional name: 3-chloro-4-fluoropyridine
• Synonyms: 3-Chloro-4-fluoropyridine

Database IDs

• CAS Number: 883107-69-5; 2546-56-7
• MDL Number: MFCD04973418
• PubChem SID: 162081797
• PubChem CID: 3454979

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5006698
• LogD (pH = 7.4): 1.5022992
• Log P: 1.50232
• Molar Refractivity: 28.9223 cm^3
• Polarizability: 11.111152 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16°C

Safety Information

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

Product Information

• Purity: 98%