[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C14H10BrFN2O4 — CID 8786483

IUPAC[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O4/c15-8-3-4-11(10(16)6-8)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyIKHORPITAFVEFF-UHFFFAOYSA-N
MW369.15 g/mol
LogP2.07
Rot. Bonds4

About [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8786483) has the molecular formula C14H10BrFN2O4 and a molecular weight of 369.15 g/mol. Its IUPAC name is [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8786483
Molecular FormulaC14H10BrFN2O4
Molecular Weight369.15 g/mol
Exact Mass367.98
IUPAC Name[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O4/c15-8-3-4-11(10(16)6-8)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyIKHORPITAFVEFF-UHFFFAOYSA-N
XLogP2.07
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 8786483) is [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is IKHORPITAFVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O4/c15-8-3-4-11(10(16)6-8)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19).
What are the key properties of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 369.15 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8786483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).