2-chloro-6-nitropyridine

• ChemBase ID: 67910
• Molecular Formular: C5H3ClN2O2
• Molecular Mass: 158.54252
• Monoisotopic Mass: 157.98830503
• SMILES: c1(cccc(n1)[N+](=O)[O-])Cl
• Canonical SMILES: Clc1cccc(n1)[N+](=O)[O-]
• InChI: InChI=1S/C5H3ClN2O2/c6-4-2-1-3-5(7-4)8(9)10/h1-3H
• InChIKey: YRSNXUYQRUULNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-nitropyridine
• IUPAC Traditional name: 2-chloro-6-nitropyridine
• Synonyms: 2-Chloro-6-nitropyridine; 2-Chloro-6-nitropyridine 97%

Database IDs

• CAS Number: 94166-64-0
• MDL Number: MFCD04114207
• PubChem SID: 162033645
• PubChem CID: 2762886

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.114237
• LogD (pH = 7.4): 2.114237
• Log P: 2.114237
• Molar Refractivity: 36.4012 cm^3
• Polarizability: 13.392275 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%