5-chloro-2-(chloromethyl)pyridine

C6H5Cl2N — CID 14517151

IUPAC5-chloro-2-(chloromethyl)pyridine
SMILESClCc1ccc(Cl)cn1
InChIInChI=1S/C6H5Cl2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKeyJTTKXEIHKDSIRC-UHFFFAOYSA-N
MW162.02 g/mol
LogP2.47
Rot. Bonds1

About 5-chloro-2-(chloromethyl)pyridine

5-chloro-2-(chloromethyl)pyridine (PubChem CID 14517151) has the molecular formula C6H5Cl2N and a molecular weight of 162.02 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)pyridine
PubChem CID14517151
Molecular FormulaC6H5Cl2N
Molecular Weight162.02 g/mol
Exact Mass160.98
IUPAC Name5-chloro-2-(chloromethyl)pyridine
SMILESClCc1ccc(Cl)cn1
InChIInChI=1S/C6H5Cl2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKeyJTTKXEIHKDSIRC-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.02
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)pyridine?
The IUPAC name of 5-chloro-2-(chloromethyl)pyridine (CID 14517151) is 5-chloro-2-(chloromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-(chloromethyl)pyridine?
The canonical SMILES for 5-chloro-2-(chloromethyl)pyridine is ClCc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(chloromethyl)pyridine?
The InChIKey is JTTKXEIHKDSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2.
What are the key properties of 5-chloro-2-(chloromethyl)pyridine?
5-chloro-2-(chloromethyl)pyridine has a molecular weight of 162.02 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)pyridine is sourced from PubChem (CID 14517151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).