3-chloro-5-nitropyridine

• ChemBase ID: 286731
• Molecular Formular: C5H3ClN2O2
• Molecular Mass: 158.54252
• Monoisotopic Mass: 157.98830503
• SMILES: Clc1cc(cnc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(Cl)cnc1
• InChI: InChI=1S/C5H3ClN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
• InChIKey: MUTXEQVAHJCPSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-nitropyridine
• IUPAC Traditional name: 3-chloro-5-nitropyridine
• Synonyms: 3-Chloro-5-nitropyridine

Database IDs

• CAS Number: 22353-33-9
• PubChem SID: 180672262
• PubChem CID: 2762900

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2996023
• LogD (pH = 7.4): 1.2996023
• Log P: 1.2996023
• Molar Refractivity: 35.0264 cm^3
• Polarizability: 13.341736 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%