[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

C15H13BrN2O5 — CID 23884703

IUPAC[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cc(O)[nH]c(=O)c2)ccc1Br
InChIInChI=1S/C15H13BrN2O5/c1-8-4-10(2-3-11(8)16)17-14(21)7-23-15(22)9-5-12(19)18-13(20)6-9/h2-6H,7H2,1H3,(H,17,21)(H2,18,19,20)
InChIKeyFPEAAOBSVCCUMC-UHFFFAOYSA-N
MW381.18 g/mol
LogP1.95
Rot. Bonds4

About [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 23884703) has the molecular formula C15H13BrN2O5 and a molecular weight of 381.18 g/mol. Its IUPAC name is [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID23884703
Molecular FormulaC15H13BrN2O5
Molecular Weight381.18 g/mol
Exact Mass380.00
IUPAC Name[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2cc(O)[nH]c(=O)c2)ccc1Br
InChIInChI=1S/C15H13BrN2O5/c1-8-4-10(2-3-11(8)16)17-14(21)7-23-15(22)9-5-12(19)18-13(20)6-9/h2-6H,7H2,1H3,(H,17,21)(H2,18,19,20)
InChIKeyFPEAAOBSVCCUMC-UHFFFAOYSA-N
XLogP1.95
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.18
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 4234915
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210798
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991388
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2448936
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33056529
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2430405
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823510
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-nitrobenzoate
CID 2623672
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 7777348
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2512939
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2397397
4-O-[2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-O-ethyl but-2-enedioate
CID 5200911

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate (CID 23884703) is [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is Cc1cc(NC(=O)COC(=O)c2cc(O)[nH]c(=O)c2)ccc1Br.
What is the InChIKey of [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is FPEAAOBSVCCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O5/c1-8-4-10(2-3-11(8)16)17-14(21)7-23-15(22)9-5-12(19)18-13(20)6-9/h2-6H,7H2,1H3,(H,17,21)(H2,18,19,20).
What are the key properties of [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate?
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 381.18 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 23884703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).