6-chloro-2-iodo-3-(trifluoromethyl)pyridine

• ChemBase ID: 100459
• Molecular Formular: C6H2ClF3IN
• Molecular Mass: 307.4394596
• Monoisotopic Mass: 306.88725941
• SMILES: n1c(c(ccc1Cl)C(F)(F)F)I
• Canonical SMILES: FC(c1ccc(nc1I)Cl)(F)F
• InChI: InChI=1S/C6H2ClF3IN/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H
• InChIKey: DPAHBNHHPOZWCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-iodo-3-(trifluoromethyl)pyridine
• IUPAC Traditional name: 6-chloro-2-iodo-3-(trifluoromethyl)pyridine
• Synonyms: 6-Chloro-2-iodo-3-(trifluoromethyl)pyridine 95%; 6-chloro-2-iodo-3-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 518057-64-2
• MDL Number: MFCD08235251
• PubChem SID: 162086875
• PubChem CID: 11220536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4191759
• LogD (pH = 7.4): 3.4191759
• Log P: 3.4191759
• Molar Refractivity: 48.8115 cm^3
• Polarizability: 18.476809 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%