2-chloro-4-(chloromethyl)pyridine

C6H5Cl2N — CID 11126573

IUPAC2-chloro-4-(chloromethyl)pyridine
SMILESClCc1ccnc(Cl)c1
InChIInChI=1S/C6H5Cl2N/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2
InChIKeyQELZCGMVHLQNSO-UHFFFAOYSA-N
MW162.02 g/mol
LogP2.47
Rot. Bonds1

About 2-chloro-4-(chloromethyl)pyridine

2-chloro-4-(chloromethyl)pyridine (PubChem CID 11126573) has the molecular formula C6H5Cl2N and a molecular weight of 162.02 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)pyridine
PubChem CID11126573
Molecular FormulaC6H5Cl2N
Molecular Weight162.02 g/mol
Exact Mass160.98
IUPAC Name2-chloro-4-(chloromethyl)pyridine
SMILESClCc1ccnc(Cl)c1
InChIInChI=1S/C6H5Cl2N/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2
InChIKeyQELZCGMVHLQNSO-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': '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-chloro-4-(chloromethyl)pyridine?
The IUPAC name of 2-chloro-4-(chloromethyl)pyridine (CID 11126573) is 2-chloro-4-(chloromethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(chloromethyl)pyridine?
The canonical SMILES for 2-chloro-4-(chloromethyl)pyridine is ClCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(chloromethyl)pyridine?
The InChIKey is QELZCGMVHLQNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N/c7-4-5-1-2-9-6(8)3-5/h1-3H,4H2.
What are the key properties of 2-chloro-4-(chloromethyl)pyridine?
2-chloro-4-(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 2-chloro-4-(chloromethyl)pyridine is sourced from PubChem (CID 11126573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).