ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate

C15H12F3NO3 — CID 102051906

IUPACethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C15H12F3NO3/c1-2-22-14(21)11-8-10(9-6-4-3-5-7-9)13(20)19-12(11)15(16,17)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyDJENYWCHSKMILX-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.24
Rot. Bonds3

About ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate

ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate (PubChem CID 102051906) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
PubChem CID102051906
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Nameethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C15H12F3NO3/c1-2-22-14(21)11-8-10(9-6-4-3-5-7-9)13(20)19-12(11)15(16,17)18/h3-8H,2H2,1H3,(H,19,20)
InChIKeyDJENYWCHSKMILX-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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Related Compounds

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CID 5333136
ethyl 3-benzamido-2-oxo-6-(trifluoromethyl)-2H-pyran-5-carboxylate
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ethyl 5-benzyl-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 70684577
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
CID 70690900
ethyl 5-[(4-methylphenyl)methyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
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ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688817
methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690901
2,2,2-trifluoro-N-(6-methyl-2-oxo-3-phenyl-1H-pyridin-4-yl)acetamide
CID 456454
ethyl 4-(4-fluorophenyl)-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
CID 44471657
2-Benzoylamino-3-trifluoromethylbutendioic acid dimethyl ester
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(z)-Methyl 3-(2-phenylacetamido)-4-(2,4,5-trifluorophenyl)but-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate (CID 102051906) is ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The InChIKey is DJENYWCHSKMILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-2-22-14(21)11-8-10(9-6-4-3-5-7-9)13(20)19-12(11)15(16,17)18/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate?
ethyl 6-oxo-5-phenyl-2-(trifluoromethyl)-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 6-oxo-5-phenyl-2-(trifluoromethyl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 102051906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).