ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate

C10H7ClF5NO2 — CID 134675024

IUPACethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF5NO2/c1-2-19-9(18)7-6(10(14,15)16)5(8(12)13)4(11)3-17-7/h3,8H,2H2,1H3
InChIKeyWTLSTGJVYNPZRA-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.87
Rot. Bonds3

About ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate

ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 134675024) has the molecular formula C10H7ClF5NO2 and a molecular weight of 303.61 g/mol. Its IUPAC name is ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID134675024
Molecular FormulaC10H7ClF5NO2
Molecular Weight303.61 g/mol
Exact Mass303.01
IUPAC Nameethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(Cl)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C10H7ClF5NO2/c1-2-19-9(18)7-6(10(14,15)16)5(8(12)13)4(11)3-17-7/h3,8H,2H2,1H3
InChIKeyWTLSTGJVYNPZRA-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
ethyl 4-cyano-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106098
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
ethyl 3-chloro-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134685274
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103884
ethyl 5-chloro-3-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134674440
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 7-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
CID 172715553

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate (CID 134675024) is ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ncc(Cl)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is WTLSTGJVYNPZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO2/c1-2-19-9(18)7-6(10(14,15)16)5(8(12)13)4(11)3-17-7/h3,8H,2H2,1H3.
What are the key properties of ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 303.61 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134675024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).