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

• ChemBase ID: 291952
• Molecular Formular: C6H3ClN2O
• Molecular Mass: 154.55382
• Monoisotopic Mass: 153.99339041
• SMILES: Clc1oc2c(n1)ccnc2
• Canonical SMILES: Clc1nc2c(o1)cncc2
• InChI: InChI=1S/C6H3ClN2O/c7-6-9-4-1-2-8-3-5(4)10-6/h1-3H
• InChIKey: CVNMRDXBPVOJFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 916792-10-4
• PubChem SID: 180677483
• PubChem CID: 45925627

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0154076
• LogD (pH = 7.4): 1.0161972
• Log P: 1.0162073
• Molar Refractivity: 35.5921 cm^3
• Polarizability: 14.97144 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%