4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride

C14H4Cl4N2O4 — CID 14363359

IUPAC4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc(-c2cc(C(=O)Cl)nc(C(=O)Cl)c2)cc(C(=O)Cl)n1
InChIInChI=1S/C14H4Cl4N2O4/c15-11(21)7-1-5(2-8(19-7)12(16)22)6-3-9(13(17)23)20-10(4-6)14(18)24/h1-4H
InChIKeyWGECVALPVQOISD-UHFFFAOYSA-N
MW406.01 g/mol
LogP3.66
Rot. Bonds5

About 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride

4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride (PubChem CID 14363359) has the molecular formula C14H4Cl4N2O4 and a molecular weight of 406.01 g/mol. Its IUPAC name is 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride.

Molecular Properties

Compound Name4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
PubChem CID14363359
Molecular FormulaC14H4Cl4N2O4
Molecular Weight406.01 g/mol
Exact Mass403.89
IUPAC Name4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc(-c2cc(C(=O)Cl)nc(C(=O)Cl)c2)cc(C(=O)Cl)n1
InChIInChI=1S/C14H4Cl4N2O4/c15-11(21)7-1-5(2-8(19-7)12(16)22)6-3-9(13(17)23)20-10(4-6)14(18)24/h1-4H
InChIKeyWGECVALPVQOISD-UHFFFAOYSA-N
XLogP3.66
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.01
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride 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 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride?
The IUPAC name of 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride (CID 14363359) is 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride.
What is the SMILES notation for 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride?
The canonical SMILES for 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride is O=C(Cl)c1cc(-c2cc(C(=O)Cl)nc(C(=O)Cl)c2)cc(C(=O)Cl)n1.
What is the InChIKey of 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride?
The InChIKey is WGECVALPVQOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4Cl4N2O4/c15-11(21)7-1-5(2-8(19-7)12(16)22)6-3-9(13(17)23)20-10(4-6)14(18)24/h1-4H.
What are the key properties of 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride?
4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride has a molecular weight of 406.01 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride is sourced from PubChem (CID 14363359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).