[2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

C14H8Cl3NO3 — CID 7351819

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H8Cl3NO3/c15-9-4-2-1-3-8(9)11(19)7-21-14(20)13-10(16)5-6-12(17)18-13/h1-6H,7H2
InChIKeyRNWJEPAZKHPGPV-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.08
Rot. Bonds4

About [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate

[2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (PubChem CID 7351819) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
PubChem CID7351819
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
SMILESO=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H8Cl3NO3/c15-9-4-2-1-3-8(9)11(19)7-21-14(20)13-10(16)5-6-12(17)18-13/h1-6H,7H2
InChIKeyRNWJEPAZKHPGPV-UHFFFAOYSA-N
XLogP4.08
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-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-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate (CID 7351819) is [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is O=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
The InChIKey is RNWJEPAZKHPGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-9-4-2-1-3-8(9)11(19)7-21-14(20)13-10(16)5-6-12(17)18-13/h1-6H,7H2.
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate?
[2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate has a molecular weight of 344.58 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 7351819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).