4-chloro-2-fluoropyridine

• ChemBase ID: 67401
• Molecular Formular: C5H3ClFN
• Molecular Mass: 131.5354232
• Monoisotopic Mass: 130.993805
• SMILES: c1(cc(ccn1)Cl)F
• Canonical SMILES: Clc1ccnc(c1)F
• InChI: InChI=1S/C5H3ClFN/c6-4-1-2-8-5(7)3-4/h1-3H
• InChIKey: GNJKJKBURMCLOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-fluoropyridine
• IUPAC Traditional name: 4-chloro-2-fluoropyridine
• Synonyms: 4-Chloro-2-fluoropyridine

Database IDs

• CAS Number: 34941-92-9
• MDL Number: MFCD04112503
• PubChem SID: 162033136
• PubChem CID: 2762839

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8962506
• LogD (pH = 7.4): 1.8962507
• Log P: 1.8962507
• Molar Refractivity: 29.937 cm^3
• Polarizability: 11.081108 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%