4-chloro-2-nitropyridine

• ChemBase ID: 66749
• Molecular Formular: C5H3ClN2O2
• Molecular Mass: 158.54252
• Monoisotopic Mass: 157.98830503
• SMILES: c1(cc(ccn1)Cl)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(Cl)ccn1
• InChI: InChI=1S/C5H3ClN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
• InChIKey: YPKBJRKFGYVURL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-nitropyridine
• IUPAC Traditional name: 4-chloro-2-nitropyridine
• Synonyms: 4-Chloro-2-nitropyridine

Database IDs

• CAS Number: 65370-42-5
• MDL Number: MFCD04114167
• PubChem SID: 162032485
• PubChem CID: 2762847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8940598
• LogD (pH = 7.4): 1.8940598
• Log P: 1.8940598
• Molar Refractivity: 35.3399 cm^3
• Polarizability: 13.338858 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%