ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate

C10H7F3N2O3 — CID 133096689

IUPACethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C#N)ccnc1OC(F)(F)F
InChIInChI=1S/C10H7F3N2O3/c1-2-17-9(16)7-6(5-14)3-4-15-8(7)18-10(11,12)13/h3-4H,2H2,1H3
InChIKeyUEYAMEUPFVWZDB-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.03
Rot. Bonds3

About ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 133096689) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID133096689
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Nameethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C#N)ccnc1OC(F)(F)F
InChIInChI=1S/C10H7F3N2O3/c1-2-17-9(16)7-6(5-14)3-4-15-8(7)18-10(11,12)13/h3-4H,2H2,1H3
InChIKeyUEYAMEUPFVWZDB-UHFFFAOYSA-N
XLogP2.03
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-cyano-3-(difluoromethyl)-2-(trifluoromethoxy)benzoate
CID 134643662
ethyl 2-cyano-6-ethyl-3-(trifluoromethoxy)benzoate
CID 134614915
ethyl 2-cyano-4-(trifluoromethoxy)benzoate
CID 134644777
ethyl 2-amino-6-cyanobenzoate
CID 91873808
4-cyano-2-(trifluoromethoxy)pyridine-3-sulfonamide
CID 133095710
methyl 4-amino-5-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133097092
ethyl 3-cyano-2-methyl-5-(trifluoromethoxy)benzoate
CID 134633011
ethyl 3-cyano-2-(hydroxymethyl)-6-(trifluoromethyl)benzoate
CID 134644098
ethyl 6-cyano-2-formyl-3-(trifluoromethyl)benzoate
CID 134642232
ethyl 4-cyano-3-methoxy-2-(trifluoromethoxy)benzoate
CID 134642160
2-O-ethyl 1-O-methyl 3-cyanobenzene-1,2-dicarboxylate
CID 91882348
ethyl 6-cyano-3-fluoro-2-iodobenzoate
CID 131531974

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 133096689) is ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1c(C#N)ccnc1OC(F)(F)F.
What is the InChIKey of ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is UEYAMEUPFVWZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-2-17-9(16)7-6(5-14)3-4-15-8(7)18-10(11,12)13/h3-4H,2H2,1H3.
What are the key properties of ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 260.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 133096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).