[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

C15H10ClF3N2O5 — CID 2341418

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESO=C(COC(=O)c1cc(O)[nH]c(=O)c1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H10ClF3N2O5/c16-9-2-1-8(15(17,18)19)5-10(9)20-13(24)6-26-14(25)7-3-11(22)21-12(23)4-7/h1-5H,6H2,(H,20,24)(H2,21,22,23)
InChIKeyRYLDFZRVYYDGFD-UHFFFAOYSA-N
MW390.70 g/mol
LogP2.55
Rot. Bonds4

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 2341418) has the molecular formula C15H10ClF3N2O5 and a molecular weight of 390.70 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID2341418
Molecular FormulaC15H10ClF3N2O5
Molecular Weight390.70 g/mol
Exact Mass390.02
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESO=C(COC(=O)c1cc(O)[nH]c(=O)c1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H10ClF3N2O5/c16-9-2-1-8(15(17,18)19)5-10(9)20-13(24)6-26-14(25)7-3-11(22)21-12(23)4-7/h1-5H,6H2,(H,20,24)(H2,21,22,23)
InChIKeyRYLDFZRVYYDGFD-UHFFFAOYSA-N
XLogP2.55
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (CID 2341418) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is O=C(COC(=O)c1cc(O)[nH]c(=O)c1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is RYLDFZRVYYDGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O5/c16-9-2-1-8(15(17,18)19)5-10(9)20-13(24)6-26-14(25)7-3-11(22)21-12(23)4-7/h1-5H,6H2,(H,20,24)(H2,21,22,23).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 390.70 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 2341418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).