2,4-dichloro-6-(4-methylphenyl)pyridine

C12H9Cl2N — CID 90948532

IUPAC2,4-dichloro-6-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C12H9Cl2N/c1-8-2-4-9(5-3-8)11-6-10(13)7-12(14)15-11/h2-7H,1H3
InChIKeyWBHGBQSPCWTRMS-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.36
Rot. Bonds1

About 2,4-dichloro-6-(4-methylphenyl)pyridine

2,4-dichloro-6-(4-methylphenyl)pyridine (PubChem CID 90948532) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-methylphenyl)pyridine
PubChem CID90948532
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2,4-dichloro-6-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C12H9Cl2N/c1-8-2-4-9(5-3-8)11-6-10(13)7-12(14)15-11/h2-7H,1H3
InChIKeyWBHGBQSPCWTRMS-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.36
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 2,4-dichloro-6-(4-methylphenyl)pyridine?
The IUPAC name of 2,4-dichloro-6-(4-methylphenyl)pyridine (CID 90948532) is 2,4-dichloro-6-(4-methylphenyl)pyridine.
What is the SMILES notation for 2,4-dichloro-6-(4-methylphenyl)pyridine?
The canonical SMILES for 2,4-dichloro-6-(4-methylphenyl)pyridine is Cc1ccc(-c2cc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 2,4-dichloro-6-(4-methylphenyl)pyridine?
The InChIKey is WBHGBQSPCWTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c1-8-2-4-9(5-3-8)11-6-10(13)7-12(14)15-11/h2-7H,1H3.
What are the key properties of 2,4-dichloro-6-(4-methylphenyl)pyridine?
2,4-dichloro-6-(4-methylphenyl)pyridine has a molecular weight of 238.12 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-methylphenyl)pyridine is sourced from PubChem (CID 90948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).