ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate

C16H12F5NO2 — CID 155385717

IUPACethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)c(C(F)F)c2)cnc1C(F)F
InChIInChI=1S/C16H12F5NO2/c1-2-24-16(23)11-6-9(7-22-13(11)15(20)21)8-3-4-12(17)10(5-8)14(18)19/h3-7,14-15H,2H2,1H3
InChIKeyUWMGTPYWTGUGDJ-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.94
Rot. Bonds5

About ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate

ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate (PubChem CID 155385717) has the molecular formula C16H12F5NO2 and a molecular weight of 345.27 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate
PubChem CID155385717
Molecular FormulaC16H12F5NO2
Molecular Weight345.27 g/mol
Exact Mass345.08
IUPAC Nameethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)c(C(F)F)c2)cnc1C(F)F
InChIInChI=1S/C16H12F5NO2/c1-2-24-16(23)11-6-9(7-22-13(11)15(20)21)8-3-4-12(17)10(5-8)14(18)19/h3-7,14-15H,2H2,1H3
InChIKeyUWMGTPYWTGUGDJ-UHFFFAOYSA-N
XLogP4.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 130098245
3-(chloromethyl)-2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine;hydrochloride
CID 155385696
ethyl 4-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134674253
ethyl 4-(difluoromethyl)-2-(3-fluorophenyl)pyrimidine-5-carboxylate
CID 102973187
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
5-[3-(difluoromethyl)-4-fluorophenyl]-2-methylpyridine
CID 175730479
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 5-(difluoromethyl)-2,6-difluoropyridine-3-carboxylate
CID 134677162
ethyl 2-fluoro-5-[4-(trifluoromethyl)phenyl]benzoate
CID 134628237
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
CID 133106006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate (CID 155385717) is ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate is CCOC(=O)c1cc(-c2ccc(F)c(C(F)F)c2)cnc1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate?
The InChIKey is UWMGTPYWTGUGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO2/c1-2-24-16(23)11-6-9(7-22-13(11)15(20)21)8-3-4-12(17)10(5-8)14(18)19/h3-7,14-15H,2H2,1H3.
What are the key properties of ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate has a molecular weight of 345.27 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate is sourced from PubChem (CID 155385717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).