ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate

C15H12F3NO3 — CID 59015787

IUPACethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(-c2ccccc2C(F)(F)F)cc1=O
InChIInChI=1S/C15H12F3NO3/c1-2-22-14(21)10-8-19-12(7-13(10)20)9-5-3-4-6-11(9)15(16,17)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyWZGBJQHSKYJYGT-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.24
Rot. Bonds3

About ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate

ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate (PubChem CID 59015787) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
PubChem CID59015787
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Nameethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(-c2ccccc2C(F)(F)F)cc1=O
InChIInChI=1S/C15H12F3NO3/c1-2-22-14(21)10-8-19-12(7-13(10)20)9-5-3-4-6-11(9)15(16,17)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyWZGBJQHSKYJYGT-UHFFFAOYSA-N
XLogP3.24
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate (CID 59015787) is ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate is CCOC(=O)c1c[nH]c(-c2ccccc2C(F)(F)F)cc1=O.
What is the InChIKey of ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
The InChIKey is WZGBJQHSKYJYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-2-22-14(21)10-8-19-12(7-13(10)20)9-5-3-4-6-11(9)15(16,17)18/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate has a molecular weight of 311.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate is sourced from PubChem (CID 59015787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).