ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate

C15H10Cl2F3NO2 — CID 59487427

IUPACethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc(-c2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C15H10Cl2F3NO2/c1-2-23-14(22)12-10(17)7-11(21-13(12)15(18,19)20)8-3-5-9(16)6-4-8/h3-7H,2H2,1H3
InChIKeyHRWUARIXTHDOFF-UHFFFAOYSA-N
MW364.15 g/mol
LogP5.25
Rot. Bonds3

About ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 59487427) has the molecular formula C15H10Cl2F3NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID59487427
Molecular FormulaC15H10Cl2F3NO2
Molecular Weight364.15 g/mol
Exact Mass363.00
IUPAC Nameethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)cc(-c2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C15H10Cl2F3NO2/c1-2-23-14(22)12-10(17)7-11(21-13(12)15(18,19)20)8-3-5-9(16)6-4-8/h3-7H,2H2,1H3
InChIKeyHRWUARIXTHDOFF-UHFFFAOYSA-N
XLogP5.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.15
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 59487427) is ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(Cl)cc(-c2ccc(Cl)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is HRWUARIXTHDOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2/c1-2-23-14(22)12-10(17)7-11(21-13(12)15(18,19)20)8-3-5-9(16)6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 364.15 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-(4-chlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 59487427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).