7-chloro-2-iodothieno[3,2-b]pyridine

• ChemBase ID: 64669
• Molecular Formular: C7H3ClINS
• Molecular Mass: 295.52789
• Monoisotopic Mass: 294.87194578
• SMILES: c1c(sc2c1nccc2Cl)I
• Canonical SMILES: Ic1cc2c(s1)c(Cl)ccn2
• InChI: InChI=1S/C7H3ClINS/c8-4-1-2-10-5-3-6(9)11-7(4)5/h1-3H
• InChIKey: GYHAKTKQWPBADS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-iodothieno[3,2-b]pyridine
• IUPAC Traditional name: 7-chloro-2-iodothieno[3,2-b]pyridine
• Synonyms: 7-Chloro-2-iodothieno[3,2-b]pyridine

Database IDs

• CAS Number: 602303-26-4
• MDL Number: MFCD08448166
• PubChem SID: 162030408
• PubChem CID: 17750400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7163646
• LogD (pH = 7.4): 3.7164328
• Log P: 3.7164335
• Molar Refractivity: 54.1964 cm^3
• Polarizability: 22.761978 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%