ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

C17H13F3N2O3 — CID 2786761

IUPACethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C17H13F3N2O3/c1-3-24-16(23)14-7-11(9-21)15(22-10(14)2)25-13-6-4-5-12(8-13)17(18,19)20/h4-8H,3H2,1-2H3
InChIKeyIMQRJXYVWQINQT-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.25
Rot. Bonds4

About ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate

ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (PubChem CID 2786761) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
PubChem CID2786761
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Nameethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C17H13F3N2O3/c1-3-24-16(23)14-7-11(9-21)15(22-10(14)2)25-13-6-4-5-12(8-13)17(18,19)20/h4-8H,3H2,1-2H3
InChIKeyIMQRJXYVWQINQT-UHFFFAOYSA-N
XLogP4.25
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
methyl 5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 1471661
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 72696488
ethyl 2-cyano-5-(trifluoromethyl)benzoate
CID 134643261
ethyl 1-(2-fluoroethyl)-3-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylate
CID 139934928
ethyl 2-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 19991840
ethyl 3-[3-(trifluoromethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-4-carboxylate
CID 162385369

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate (CID 2786761) is ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(Oc2cccc(C(F)(F)F)c2)nc1C.
What is the InChIKey of ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
The InChIKey is IMQRJXYVWQINQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-3-24-16(23)14-7-11(9-21)15(22-10(14)2)25-13-6-4-5-12(8-13)17(18,19)20/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate?
ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate has a molecular weight of 350.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate is sourced from PubChem (CID 2786761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).