7-chloro-8-iodo-2-(trifluoromethyl)imidazo[1,2-a]pyridine

• ChemBase ID: 61638
• Molecular Formular: C8H3ClF3IN2
• Molecular Mass: 346.4754996
• Monoisotopic Mass: 345.89815845
• SMILES: c12nc(cn2ccc(c1I)Cl)C(F)(F)F
• Canonical SMILES: Clc1ccn2c(c1I)nc(c2)C(F)(F)F
• InChI: InChI=1S/C8H3ClF3IN2/c9-4-1-2-15-3-5(8(10,11)12)14-7(15)6(4)13/h1-3H
• InChIKey: HVEULDUNYUCHBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-iodo-2-(trifluoromethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-chloro-8-iodo-2-(trifluoromethyl)imidazo[1,2-a]pyridine
• Synonyms: 7-chloro-8-iodo-2-(trifluoromethyl)imidazo[1,2-a]pyridine; 7-Chloro-8-iodo-2-(trifluoromethyl)imidazo-[1,2-a]pyridine

Database IDs

• MDL Number: MFCD19982794
• PubChem SID: 162027379
• PubChem CID: 56773852

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5547915
• LogD (pH = 7.4): 3.556219
• Log P: 3.5562375
• Molar Refractivity: 59.7054 cm^3
• Polarizability: 22.144674 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162 °C; 160-162°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%