2,3-bis(chloromethyl)-5-fluoropyridine

• ChemBase ID: 796298
• Molecular Formular: C7H6Cl2FN
• Molecular Mass: 194.0336432
• Monoisotopic Mass: 192.98613278
• SMILES: n1c(c(cc(c1)F)CCl)CCl
• Canonical SMILES: Fc1cc(CCl)c(nc1)CCl
• InChI: InChI=1S/C7H6Cl2FN/c8-2-5-1-6(10)4-11-7(5)3-9/h1,4H,2-3H2
• InChIKey: NXAQSGMFZZYCFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(chloromethyl)-5-fluoropyridine
• IUPAC Traditional name: 2,3-bis(chloromethyl)-5-fluoropyridine
• Synonyms: 2,3-Bis(chloroMethyl)-5-fluoropyridine

Database IDs

• CAS Number: 1356109-93-7

CALCULATED PROPERTIES

• Log P: 2.1542313
• Molar Refractivity: 43.3291 cm^3
• Polarizability: 16.569826 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1541986
• LogD (pH = 7.4): 2.154231

PROPERTIES

Product Information

• Purity: 97%