2-chloro-4-(1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 309565
• Molecular Formular: C7H4ClN3O
• Molecular Mass: 181.57916
• Monoisotopic Mass: 181.00428944
• SMILES: c1(ncon1)c1cc(ncc1)Cl
• Canonical SMILES: Clc1nccc(c1)c1nocn1
• InChI: InChI=1S/C7H4ClN3O/c8-6-3-5(1-2-9-6)7-10-4-12-11-7/h1-4H
• InChIKey: CEXOKGILJXKETA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 2-chloro-4-(1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 2-chloro-4-(1,2,4-oxadiazol-3-yl)pyridine

Database IDs

• MDL Number: MFCD18447667

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7429336
• LogD (pH = 7.4): 1.7429336
• Log P: 1.7429336
• Molar Refractivity: 55.7944 cm^3
• Polarizability: 16.815588 Å^3
• Polar Surface Area: 51.81 Å^2