hydrogen 4-chloropyridine chloride

• ChemBase ID: 288228
• Molecular Formular: C5H4Cl2N-
• Molecular Mass: 148.99796
• Monoisotopic Mass: 147.97207949
• SMILES: c1c(Cl)ccnc1.[Cl-]
• Canonical SMILES: Clc1ccncc1.[Cl-]
• InChI: InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H/p-1
• InChIKey: XGAFCCUNHIMIRV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 4-chloropyridine chloride
• IUPAC Traditional name: hydrogen 4-chloropyridine chloride
• Synonyms: 4-Chloropyridine hydrochloride

Database IDs

• CAS Number: 7379-35-3
• MDL Number: MFCD00012829
• PubChem SID: 180673759
• PubChem CID: 73994922

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3480719
• LogD (pH = 7.4): 1.3594704
• Log P: 1.3596181
• Molar Refractivity: 28.7059 cm^3
• Polarizability: 11.303121 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%