[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C14H10Cl2N2O4 — CID 8786666

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-4-1-5-10(16)12(9)18-11(19)7-22-14(21)8-3-2-6-17-13(8)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyQILRZMSLSKSEML-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.48
Rot. Bonds4

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8786666) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8786666
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2N2O4/c15-9-4-1-5-10(16)12(9)18-11(19)7-22-14(21)8-3-2-6-17-13(8)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyQILRZMSLSKSEML-UHFFFAOYSA-N
XLogP2.48
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786024
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786481
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786755
[2-(4-iodoanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2379470
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786611
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2419201

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 8786666) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QILRZMSLSKSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-9-4-1-5-10(16)12(9)18-11(19)7-22-14(21)8-3-2-6-17-13(8)20/h1-6H,7H2,(H,17,20)(H,18,19).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 341.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8786666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).