2-chloro-[1,3]thiazolo[5,4-b]pyridine

• ChemBase ID: 292292
• Molecular Formular: C6H3ClN2S
• Molecular Mass: 170.61942
• Monoisotopic Mass: 169.97054679
• SMILES: Clc1nc2c(s1)nccc2
• Canonical SMILES: Clc1nc2c(s1)nccc2
• InChI: InChI=1S/C6H3ClN2S/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H
• InChIKey: TVHRCGOWLCQJKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-[1,3]thiazolo[5,4-b]pyridine
• IUPAC Traditional name: 2-chloro-[1,3]thiazolo[5,4-b]pyridine
• Synonyms: 2-Chlorothiazolo[5,4-b]pyridine

Database IDs

• CAS Number: 91524-96-8
• MDL Number: MFCD13190222
• PubChem SID: 180677823
• PubChem CID: 13342803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1772754
• LogD (pH = 7.4): 2.1772757
• Log P: 2.1772757
• Molar Refractivity: 39.9503 cm^3
• Polarizability: 16.08785 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%