6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C9H9F3N2O2 — CID 11096518

IUPAC6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(F)(F)F)c(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C9H9F3N2O2/c1-2-4-3-5(9(10,11)12)6(7(13)15)8(16)14-4/h3H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyIOBDVCNMESJHHF-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.05
Rot. Bonds2

About 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 11096518) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID11096518
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCc1cc(C(F)(F)F)c(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C9H9F3N2O2/c1-2-4-3-5(9(10,11)12)6(7(13)15)8(16)14-4/h3H,2H2,1H3,(H2,13,15)(H,14,16)
InChIKeyIOBDVCNMESJHHF-UHFFFAOYSA-N
XLogP1.05
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 11096518) is 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCc1cc(C(F)(F)F)c(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IOBDVCNMESJHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-4-3-5(9(10,11)12)6(7(13)15)8(16)14-4/h3H,2H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 11096518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).