[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

C13H8Cl3N3O3 — CID 2373983

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3O3/c14-8-3-9(15)12(18-5-8)19-11(20)6-22-13(21)7-1-2-10(16)17-4-7/h1-5H,6H2,(H,18,19,20)
InChIKeyQQAOZVKLMYMGJH-UHFFFAOYSA-N
MW360.58 g/mol
LogP3.23
Rot. Bonds4

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2373983) has the molecular formula C13H8Cl3N3O3 and a molecular weight of 360.58 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2373983
Molecular FormulaC13H8Cl3N3O3
Molecular Weight360.58 g/mol
Exact Mass358.96
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)nc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3O3/c14-8-3-9(15)12(18-5-8)19-11(20)6-22-13(21)7-1-2-10(16)17-4-7/h1-5H,6H2,(H,18,19,20)
InChIKeyQQAOZVKLMYMGJH-UHFFFAOYSA-N
XLogP3.23
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2373983) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate is O=C(COC(=O)c1ccc(Cl)nc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is QQAOZVKLMYMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3O3/c14-8-3-9(15)12(18-5-8)19-11(20)6-22-13(21)7-1-2-10(16)17-4-7/h1-5H,6H2,(H,18,19,20).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 360.58 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2373983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).