6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine

C17H8Cl5N — CID 133088206

IUPAC6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
SMILESClc1ccc(-c2ccc(Cl)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H8Cl5N/c18-9-1-3-11(14(20)7-9)12-5-6-16(22)23-17(12)13-4-2-10(19)8-15(13)21/h1-8H
InChIKeyXAQKBIYTIMUNJE-UHFFFAOYSA-N
MW403.52 g/mol
LogP7.68
Rot. Bonds2

About 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine

6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine (PubChem CID 133088206) has the molecular formula C17H8Cl5N and a molecular weight of 403.52 g/mol. Its IUPAC name is 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine.

Molecular Properties

Compound Name6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
PubChem CID133088206
Molecular FormulaC17H8Cl5N
Molecular Weight403.52 g/mol
Exact Mass400.91
IUPAC Name6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
SMILESClc1ccc(-c2ccc(Cl)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H8Cl5N/c18-9-1-3-11(14(20)7-9)12-5-6-16(22)23-17(12)13-4-2-10(19)8-15(13)21/h1-8H
InChIKeyXAQKBIYTIMUNJE-UHFFFAOYSA-N
XLogP7.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine?
The IUPAC name of 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine (CID 133088206) is 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine.
What is the SMILES notation for 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine?
The canonical SMILES for 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine is Clc1ccc(-c2ccc(Cl)nc2-c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine?
The InChIKey is XAQKBIYTIMUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl5N/c18-9-1-3-11(14(20)7-9)12-5-6-16(22)23-17(12)13-4-2-10(19)8-15(13)21/h1-8H.
What are the key properties of 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine?
6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine has a molecular weight of 403.52 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine is sourced from PubChem (CID 133088206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).