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

C10H9F3N2O4 — CID 61492529

IUPAC6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)NCC(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-14-7(16)4-15-3-6(9(18)19)1-2-8(15)17/h1-3H,4-5H2,(H,14,16)(H,18,19)
InChIKeyODDYLRFBYJHWML-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.22
Rot. Bonds4

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

6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid (PubChem CID 61492529) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
PubChem CID61492529
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid
SMILESO=C(Cn1cc(C(=O)O)ccc1=O)NCC(F)(F)F
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-14-7(16)4-15-3-6(9(18)19)1-2-8(15)17/h1-3H,4-5H2,(H,14,16)(H,18,19)
InChIKeyODDYLRFBYJHWML-UHFFFAOYSA-N
XLogP0.22
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid (CID 61492529) is 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid is O=C(Cn1cc(C(=O)O)ccc1=O)NCC(F)(F)F.
What is the InChIKey of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
The InChIKey is ODDYLRFBYJHWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)5-14-7(16)4-15-3-6(9(18)19)1-2-8(15)17/h1-3H,4-5H2,(H,14,16)(H,18,19).
What are the key properties of 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid?
6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid has a molecular weight of 278.19 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61492529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).