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

• ChemBase ID: 270972
• Molecular Formular: C6H4Cl2N2O
• Molecular Mass: 191.01476
• Monoisotopic Mass: 189.97006812
• SMILES: n1c(oc2c1ccnc2)Cl.Cl
• Canonical SMILES: Clc1nc2c(o1)cncc2.Cl
• InChI: InChI=1S/C6H3ClN2O.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h1-3H;1H
• InChIKey: AACKTPPTLAURIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1258650-05-3
• MDL Number: MFCD17977040
• PubChem SID: 164326882
• PubChem CID: 50988449

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

Physical Property

• Hydrophobicity(logP): 1.072

Product Information

• Purity: 95%; 95+%