5-chloro-[1,2,3,4]tetrazolo[1,5-a]pyridine

• ChemBase ID: 268336
• Molecular Formular: C5H3ClN4
• Molecular Mass: 154.55712
• Monoisotopic Mass: 154.0046238
• SMILES: n12nnnc1cccc2Cl
• Canonical SMILES: Clc1cccc2n1nnn2
• InChI: InChI=1S/C5H3ClN4/c6-4-2-1-3-5-7-8-9-10(4)5/h1-3H
• InChIKey: CFGUHISEVBSRKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-[1,2,3,4]tetrazolo[1,5-a]pyridine
• IUPAC Traditional name: 5-chloro-[1,2,3,4]tetrazolo[1,5-a]pyridine
• Synonyms: 5-chloro-[1,2,3,4]tetrazolo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD16622089
• PubChem SID: 164324246
• PubChem CID: 47003286

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1219878
• LogD (pH = 7.4): 1.1219879
• Log P: 1.1219879
• Molar Refractivity: 48.9567 cm^3
• Polarizability: 13.553101 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.572

Product Information

• Purity: 95%