ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate

C10H10F3NO4 — CID 134665731

IUPACethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1c(C)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-3-17-9(16)6-5(2)4-14-8(15)7(6)18-10(11,12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyDDRRISOZVQXWFP-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.76
Rot. Bonds3

About ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate

ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate (PubChem CID 134665731) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
PubChem CID134665731
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Nameethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1c(C)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-3-17-9(16)6-5(2)4-14-8(15)7(6)18-10(11,12)13/h4H,3H2,1-2H3,(H,14,15)
InChIKeyDDRRISOZVQXWFP-UHFFFAOYSA-N
XLogP1.76
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103174
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918
ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
CID 171065916
ethyl 2-ethyl-4-methyl-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 171658230
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
5-(bromomethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 134666729
ethyl 6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134664536
2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134665312
ethyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663138
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
methyl 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659856
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate (CID 134665731) is ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate is CCOC(=O)c1c(C)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate?
The InChIKey is DDRRISOZVQXWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-3-17-9(16)6-5(2)4-14-8(15)7(6)18-10(11,12)13/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate?
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate has a molecular weight of 265.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate is sourced from PubChem (CID 134665731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).