2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

C10H11F3N2O4 — CID 107483356

IUPAC2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESO=C(c1cc(O)[nH]c(=O)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)5-15(1-2-16)9(19)6-3-7(17)14-8(18)4-6/h3-4,16H,1-2,5H2,(H2,14,17,18)
InChIKeyBYJFYSJEHZYHHS-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.08
Rot. Bonds4

About 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (PubChem CID 107483356) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
PubChem CID107483356
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESO=C(c1cc(O)[nH]c(=O)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c11-10(12,13)5-15(1-2-16)9(19)6-3-7(17)14-8(18)4-6/h3-4,16H,1-2,5H2,(H2,14,17,18)
InChIKeyBYJFYSJEHZYHHS-UHFFFAOYSA-N
XLogP0.08
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (CID 107483356) is 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is O=C(c1cc(O)[nH]c(=O)c1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The InChIKey is BYJFYSJEHZYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c11-10(12,13)5-15(1-2-16)9(19)6-3-7(17)14-8(18)4-6/h3-4,16H,1-2,5H2,(H2,14,17,18).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide has a molecular weight of 280.20 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 107483356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).