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

• ChemBase ID: 292628
• Molecular Formular: C6H3ClN2O
• Molecular Mass: 154.55382
• Monoisotopic Mass: 153.99339041
• SMILES: Clc1nc2ncccc2o1
• Canonical SMILES: Clc1nc2c(o1)cccn2
• InChI: InChI=1S/C6H3ClN2O/c7-6-9-5-4(10-6)2-1-3-8-5/h1-3H
• InChIKey: UCXLYNLRJWXAIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 325976-45-2
• PubChem SID: 180678159
• PubChem CID: 22028724

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3412118
• LogD (pH = 7.4): 1.3412119
• Log P: 1.3412119
• Molar Refractivity: 37.1649 cm^3
• Polarizability: 14.3378935 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%