ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate

C16H10ClF3N2O3 — CID 2746347

IUPACethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O3/c1-2-24-15(23)12-7-9(8-21)14(22-13(12)16(18,19)20)25-11-5-3-10(17)4-6-11/h3-7H,2H2,1H3
InChIKeyYPWRCGJTNJYPSD-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.59
Rot. Bonds4

About ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 2746347) has the molecular formula C16H10ClF3N2O3 and a molecular weight of 370.71 g/mol. Its IUPAC name is ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID2746347
Molecular FormulaC16H10ClF3N2O3
Molecular Weight370.71 g/mol
Exact Mass370.03
IUPAC Nameethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O3/c1-2-24-15(23)12-7-9(8-21)14(22-13(12)16(18,19)20)25-11-5-3-10(17)4-6-11/h3-7H,2H2,1H3
InChIKeyYPWRCGJTNJYPSD-UHFFFAOYSA-N
XLogP4.59
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate (CID 2746347) is ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is YPWRCGJTNJYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3/c1-2-24-15(23)12-7-9(8-21)14(22-13(12)16(18,19)20)25-11-5-3-10(17)4-6-11/h3-7H,2H2,1H3.
What are the key properties of ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 370.71 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chlorophenoxy)-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 2746347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).