2,5-dichloro-3-(2-chlorophenyl)pyridine

C11H6Cl3N — CID 90014115

IUPAC2,5-dichloro-3-(2-chlorophenyl)pyridine
SMILESClc1cnc(Cl)c(-c2ccccc2Cl)c1
InChIInChI=1S/C11H6Cl3N/c12-7-5-9(11(14)15-6-7)8-3-1-2-4-10(8)13/h1-6H
InChIKeyFXQVMAIFAFYESC-UHFFFAOYSA-N
MW258.54 g/mol
LogP4.71
Rot. Bonds1

About 2,5-dichloro-3-(2-chlorophenyl)pyridine

2,5-dichloro-3-(2-chlorophenyl)pyridine (PubChem CID 90014115) has the molecular formula C11H6Cl3N and a molecular weight of 258.54 g/mol. Its IUPAC name is 2,5-dichloro-3-(2-chlorophenyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-3-(2-chlorophenyl)pyridine
PubChem CID90014115
Molecular FormulaC11H6Cl3N
Molecular Weight258.54 g/mol
Exact Mass256.96
IUPAC Name2,5-dichloro-3-(2-chlorophenyl)pyridine
SMILESClc1cnc(Cl)c(-c2ccccc2Cl)c1
InChIInChI=1S/C11H6Cl3N/c12-7-5-9(11(14)15-6-7)8-3-1-2-4-10(8)13/h1-6H
InChIKeyFXQVMAIFAFYESC-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.54
LogP ≤ 54.71
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 2,5-dichloro-3-(2-chlorophenyl)pyridine?
The IUPAC name of 2,5-dichloro-3-(2-chlorophenyl)pyridine (CID 90014115) is 2,5-dichloro-3-(2-chlorophenyl)pyridine.
What is the SMILES notation for 2,5-dichloro-3-(2-chlorophenyl)pyridine?
The canonical SMILES for 2,5-dichloro-3-(2-chlorophenyl)pyridine is Clc1cnc(Cl)c(-c2ccccc2Cl)c1.
What is the InChIKey of 2,5-dichloro-3-(2-chlorophenyl)pyridine?
The InChIKey is FXQVMAIFAFYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N/c12-7-5-9(11(14)15-6-7)8-3-1-2-4-10(8)13/h1-6H.
What are the key properties of 2,5-dichloro-3-(2-chlorophenyl)pyridine?
2,5-dichloro-3-(2-chlorophenyl)pyridine has a molecular weight of 258.54 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(2-chlorophenyl)pyridine is sourced from PubChem (CID 90014115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).