2-iodopyridine

• ChemBase ID: 89997
• Molecular Formular: C5H4IN
• Molecular Mass: 204.99643
• Monoisotopic Mass: 204.93884713
• SMILES: n1c(cccc1)I
• Canonical SMILES: Ic1ccccn1
• InChI: InChI=1S/C5H4IN/c6-5-3-1-2-4-7-5/h1-4H
• InChIKey: CCZWSTFVHJPCEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodopyridine
• IUPAC Traditional name: 2-iodopyridine
• Synonyms: 2-Iodopyridine; 2-Iodopyridine; 2-碘吡啶

Database IDs

• CAS Number: 5029-67-4
• MDL Number: MFCD00464928
• PubChem SID: 162076852; 24879772
• PubChem CID: 221126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.717051
• LogD (pH = 7.4): 1.7171048
• Log P: 1.7171055
• Molar Refractivity: 36.9717 cm^3
• Polarizability: 14.733643 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 52 °C(lit.); 52°C
• Density: 1.928; 1.928 g/mL at 25 °C(lit.)
• Refractive Index: 1.632; n20/D 1.6320(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H4IN

DETAILS

Sigma Aldrich - 558761

Packaging
1, 5 g in glass bottle