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

C14H10F3NO3 — CID 133092068

IUPACmethyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc[nH]c(=O)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c1-21-13(20)10-6-7-18-12(19)11(10)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyKLYILIKQKXKHJL-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.85
Rot. Bonds2

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

methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate (PubChem CID 133092068) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate
PubChem CID133092068
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc[nH]c(=O)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c1-21-13(20)10-6-7-18-12(19)11(10)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyKLYILIKQKXKHJL-UHFFFAOYSA-N
XLogP2.85
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630678
methyl 2-oxo-3-(2,3,6-trichlorophenyl)-1H-pyridine-4-carboxylate
CID 133092673
methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130097202
methyl 4,5-difluoro-2-[4-(trifluoromethyl)phenyl]benzoate
CID 118835382
methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218107
methyl 6-[bis[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxylate
CID 87669911
methyl 6-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxylate
CID 155519157
methyl 5-hydroxy-6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxylate
CID 135425165
methyl 3-(pyridine-2-carbonylamino)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 139944293
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
diethyl 3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate
CID 122228258

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate (CID 133092068) is methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate is COC(=O)c1cc[nH]c(=O)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate?
The InChIKey is KLYILIKQKXKHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-21-13(20)10-6-7-18-12(19)11(10)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate?
methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxylate is sourced from PubChem (CID 133092068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).