2,3,5-trichloro-6-(chloromethyl)pyridine

C6H3Cl4N — CID 131051937

IUPAC2,3,5-trichloro-6-(chloromethyl)pyridine
SMILESClCc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H3Cl4N/c7-2-5-3(8)1-4(9)6(10)11-5/h1H,2H2
InChIKeyDZWOWMYGYWLIPE-UHFFFAOYSA-N
MW230.91 g/mol
LogP3.78
Rot. Bonds1

About 2,3,5-trichloro-6-(chloromethyl)pyridine

2,3,5-trichloro-6-(chloromethyl)pyridine (PubChem CID 131051937) has the molecular formula C6H3Cl4N and a molecular weight of 230.91 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(chloromethyl)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(chloromethyl)pyridine
PubChem CID131051937
Molecular FormulaC6H3Cl4N
Molecular Weight230.91 g/mol
Exact Mass228.90
IUPAC Name2,3,5-trichloro-6-(chloromethyl)pyridine
SMILESClCc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C6H3Cl4N/c7-2-5-3(8)1-4(9)6(10)11-5/h1H,2H2
InChIKeyDZWOWMYGYWLIPE-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.91
LogP ≤ 53.78
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 2,3,5-trichloro-6-(chloromethyl)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(chloromethyl)pyridine (CID 131051937) is 2,3,5-trichloro-6-(chloromethyl)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(chloromethyl)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(chloromethyl)pyridine is ClCc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(chloromethyl)pyridine?
The InChIKey is DZWOWMYGYWLIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4N/c7-2-5-3(8)1-4(9)6(10)11-5/h1H,2H2.
What are the key properties of 2,3,5-trichloro-6-(chloromethyl)pyridine?
2,3,5-trichloro-6-(chloromethyl)pyridine has a molecular weight of 230.91 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(chloromethyl)pyridine is sourced from PubChem (CID 131051937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).