3,5-dichloro-2,6-difluoro-4-methoxypyridine

• ChemBase ID: 297285
• Molecular Formular: C6H3Cl2F2NO
• Molecular Mass: 213.9969264
• Monoisotopic Mass: 212.95597552
• SMILES: COc1c(c(nc(c1Cl)F)F)Cl
• Canonical SMILES: COc1c(Cl)c(F)nc(c1Cl)F
• InChI: InChI=1S/C6H3Cl2F2NO/c1-12-4-2(7)5(9)11-6(10)3(4)8/h1H3
• InChIKey: RQWCDYPJPZHFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2,6-difluoro-4-methoxypyridine
• IUPAC Traditional name: 3,5-dichloro-2,6-difluoro-4-methoxypyridine
• Synonyms: 3,5-Dichloro-2,6-difluoro-4-methoxypyridine; 3,5-二氯-2,6-二氟-4-甲氧基吡啶

Database IDs

• MDL Number: MFCD18800805
• PubChem SID: 180682816
• PubChem CID: 23233909

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8792567
• LogD (pH = 7.4): 2.8792567
• Log P: 2.8792567
• Molar Refractivity: 42.4361 cm^3
• Polarizability: 15.625552 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <30°C

Safety Information

• 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%