ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate

C10H8F5NO2 — CID 134664341

IUPACethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)(F)F)cc(C(F)F)n1
InChIInChI=1S/C10H8F5NO2/c1-2-18-9(17)7-4-5(10(13,14)15)3-6(16-7)8(11)12/h3-4,8H,2H2,1H3
InChIKeyNWCRURBLBZMQLT-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.21
Rot. Bonds3

About ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate

ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 134664341) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID134664341
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Nameethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)(F)F)cc(C(F)F)n1
InChIInChI=1S/C10H8F5NO2/c1-2-18-9(17)7-4-5(10(13,14)15)3-6(16-7)8(11)12/h3-4,8H,2H2,1H3
InChIKeyNWCRURBLBZMQLT-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-bromo-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097887
ethyl 4-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134677221
ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133102463
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133084605
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029487
ethyl 4-cyano-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106328
ethyl 5-cyano-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106979
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate (CID 134664341) is ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(C(F)(F)F)cc(C(F)F)n1.
What is the InChIKey of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is NWCRURBLBZMQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-2-18-9(17)7-4-5(10(13,14)15)3-6(16-7)8(11)12/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 269.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134664341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).