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

C9H9F3N2O3 — CID 139891635

IUPAC1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1c(O)c(C(N)=O)c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H9F3N2O3/c1-2-14-5(15)3-4(9(10,11)12)6(7(13)16)8(14)17/h3,17H,2H2,1H3,(H2,13,16)
InChIKeyLFDKZKQBPSNPME-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.69
Rot. Bonds2

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

1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139891635) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139891635
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1c(O)c(C(N)=O)c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H9F3N2O3/c1-2-14-5(15)3-4(9(10,11)12)6(7(13)16)8(14)17/h3,17H,2H2,1H3,(H2,13,16)
InChIKeyLFDKZKQBPSNPME-UHFFFAOYSA-N
XLogP0.69
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139891635) is 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is CCn1c(O)c(C(N)=O)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LFDKZKQBPSNPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-14-5(15)3-4(9(10,11)12)6(7(13)16)8(14)17/h3,17H,2H2,1H3,(H2,13,16).
What are the key properties of 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 250.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139891635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).