[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

C15H12Cl2N2O4 — CID 2592239

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H12Cl2N2O4/c1-22-12-4-3-10(16)6-11(12)19-14(20)8-23-15(21)9-2-5-13(17)18-7-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeySNXRTTNZHBJNOK-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.19
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2592239) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2592239
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H12Cl2N2O4/c1-22-12-4-3-10(16)6-11(12)19-14(20)8-23-15(21)9-2-5-13(17)18-7-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeySNXRTTNZHBJNOK-UHFFFAOYSA-N
XLogP3.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2592239) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Cl)nc1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is SNXRTTNZHBJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c1-22-12-4-3-10(16)6-11(12)19-14(20)8-23-15(21)9-2-5-13(17)18-7-9/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 355.18 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2592239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).