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

C6H4Cl3N — CID 2794626

IUPAC2,6-dichloro-4-(chloromethyl)pyridine
SMILESClCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H4Cl3N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
InChIKeyUYBVOPLURVHJOX-UHFFFAOYSA-N
MW196.46 g/mol
LogP3.13
Rot. Bonds1

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

2,6-dichloro-4-(chloromethyl)pyridine (PubChem CID 2794626) has the molecular formula C6H4Cl3N and a molecular weight of 196.46 g/mol. Its IUPAC name is 2,6-dichloro-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(chloromethyl)pyridine
PubChem CID2794626
Molecular FormulaC6H4Cl3N
Molecular Weight196.46 g/mol
Exact Mass194.94
IUPAC Name2,6-dichloro-4-(chloromethyl)pyridine
SMILESClCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H4Cl3N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
InChIKeyUYBVOPLURVHJOX-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(chloromethyl)pyridine?
The IUPAC name of 2,6-dichloro-4-(chloromethyl)pyridine (CID 2794626) is 2,6-dichloro-4-(chloromethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(chloromethyl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(chloromethyl)pyridine is ClCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(chloromethyl)pyridine?
The InChIKey is UYBVOPLURVHJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2.
What are the key properties of 2,6-dichloro-4-(chloromethyl)pyridine?
2,6-dichloro-4-(chloromethyl)pyridine has a molecular weight of 196.46 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(chloromethyl)pyridine is sourced from PubChem (CID 2794626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).