3-chloro-4-nitropyridine hydrochloride

• ChemBase ID: 288081
• Molecular Formular: C5H4Cl2N2O2
• Molecular Mass: 195.00346
• Monoisotopic Mass: 193.96498274
• SMILES: Cl.[O-][N+](=O)c1c(Cl)cncc1
• Canonical SMILES: [O-][N+](=O)c1ccncc1Cl.Cl
• InChI: InChI=1S/C5H3ClN2O2.ClH/c6-4-3-7-2-1-5(4)8(9)10;/h1-3H;1H
• InChIKey: GNBRSCJNUPCFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-nitropyridine hydrochloride
• IUPAC Traditional name: 3-chloro-4-nitropyridine hydrochloride
• Synonyms: 3-Chloro-4-nitropyridine hydrochloride

Database IDs

• CAS Number: 1257849-11-8
• PubChem SID: 180673612
• PubChem CID: 70700310

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2996018
• LogD (pH = 7.4): 1.2996023
• Log P: 1.2996023
• Molar Refractivity: 35.0264 cm^3
• Polarizability: 13.368929 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%