ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate

C10H8F5NO2 — CID 134664348

IUPACethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C10H8F5NO2/c1-2-18-9(17)7-6(8(11)12)3-5(4-16-7)10(13,14)15/h3-4,8H,2H2,1H3
InChIKeyLVNKLTBQQRAVKX-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.21
Rot. Bonds3

About ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 134664348) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID134664348
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Nameethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C10H8F5NO2/c1-2-18-9(17)7-6(8(11)12)3-5(4-16-7)10(13,14)15/h3-4,8H,2H2,1H3
InChIKeyLVNKLTBQQRAVKX-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 3-iodo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133096652
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
ethyl 3-(phosphanylamino)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461260
ethyl 3-(2-oxoethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134461725
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134675024
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378
ethyl 3-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 134684919
ethyl 5-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134672833

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate (CID 134664348) is ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ncc(C(F)(F)F)cc1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is LVNKLTBQQRAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-2-18-9(17)7-6(8(11)12)3-5(4-16-7)10(13,14)15/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 3-(difluoromethyl)-5-(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 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).