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

C10H10F3NO3 — CID 121234870

IUPACethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C10H10F3NO3/c1-3-17-9(16)6-7(10(11,12)13)5(2)4-14-8(6)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeyALOJPDPVFAICJJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.88
Rot. Bonds2

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

ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate (PubChem CID 121234870) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
PubChem CID121234870
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)c(C)c[nH]c1=O
InChIInChI=1S/C10H10F3NO3/c1-3-17-9(16)6-7(10(11,12)13)5(2)4-14-8(6)15/h4H,3H2,1-2H3,(H,14,15)
InChIKeyALOJPDPVFAICJJ-UHFFFAOYSA-N
XLogP1.88
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate (CID 121234870) is ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)c(C)c[nH]c1=O.
What is the InChIKey of ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate?
The InChIKey is ALOJPDPVFAICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-3-17-9(16)6-7(10(11,12)13)5(2)4-14-8(6)15/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate?
ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 121234870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).