6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid

C11H11F3N2O4 — CID 62876370

IUPAC6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c1-6-2-3-7(10(19)20)9(18)16(6)4-8(17)15-5-11(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)(H,19,20)
InChIKeyGNQZQMLDNMUDSE-UHFFFAOYSA-N
MW292.21 g/mol
LogP0.53
Rot. Bonds4

About 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid

6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid (PubChem CID 62876370) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
PubChem CID62876370
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c1-6-2-3-7(10(19)20)9(18)16(6)4-8(17)15-5-11(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)(H,19,20)
InChIKeyGNQZQMLDNMUDSE-UHFFFAOYSA-N
XLogP0.53
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid (CID 62876370) is 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC(=O)NCC(F)(F)F.
What is the InChIKey of 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
The InChIKey is GNQZQMLDNMUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-6-2-3-7(10(19)20)9(18)16(6)4-8(17)15-5-11(12,13)14/h2-3H,4-5H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid has a molecular weight of 292.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 62876370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).