ethyl 2-chloro-4-iodopyridine-3-carboxylate

• ChemBase ID: 297407
• Molecular Formular: C8H7ClINO2
• Molecular Mass: 311.50415
• Monoisotopic Mass: 310.92100415
• SMILES: CCOC(=O)c1c(ccnc1Cl)I
• Canonical SMILES: CCOC(=O)c1c(I)ccnc1Cl
• InChI: InChI=1S/C8H7ClINO2/c1-2-13-8(12)6-5(10)3-4-11-7(6)9/h3-4H,2H2,1H3
• InChIKey: YOJVEUAQIMBZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-chloro-4-iodopyridine-3-carboxylate
• IUPAC Traditional name: ethyl 2-chloro-4-iodopyridine-3-carboxylate
• Synonyms: 2-Chloro-4-iodonicotinic acid ethyl ester; Ethyl 2-chloro-4-iodopyridine-3-carboxylate; Ethyl 2-chloro-4-iodonicotinate; 2-氯-4-碘烟酸乙酯

Database IDs

• CAS Number: 219727-21-6
• MDL Number: MFCD07781133
• PubChem SID: 180682938
• PubChem CID: 15850399

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8690245
• LogD (pH = 7.4): 2.8690248
• Log P: 2.8690248
• Molar Refractivity: 59.9036 cm^3
• Polarizability: 23.06605 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%