4-iodopyridine hydrochloride

• ChemBase ID: 90422
• Molecular Formular: C5H5ClIN
• Molecular Mass: 241.45737
• Monoisotopic Mass: 240.91552485
• SMILES: n1ccc(cc1)I.Cl
• Canonical SMILES: Ic1ccncc1.Cl
• InChI: InChI=1S/C5H4IN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
• InChIKey: PZTZJMCFXXJUSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodopyridine hydrochloride
• IUPAC Traditional name: 4-iodopyridine hydrochloride
• Synonyms: 4-Iodopyridine hydrochloride

Database IDs

• PubChem SID: 162104749
• PubChem CID: 44119668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6715561
• LogD (pH = 7.4): 1.6843517
• Log P: 1.6845179
• Molar Refractivity: 37.2636 cm^3
• Polarizability: 14.653734 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive