5-bromo-2-chloro-3-(chloromethyl)pyridine

C6H4BrCl2N — CID 42544310

IUPAC5-bromo-2-chloro-3-(chloromethyl)pyridine
SMILESClCc1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2H2
InChIKeyVRZYGANTKSIVBU-UHFFFAOYSA-N
MW240.91 g/mol
LogP3.24
Rot. Bonds1

About 5-bromo-2-chloro-3-(chloromethyl)pyridine

5-bromo-2-chloro-3-(chloromethyl)pyridine (PubChem CID 42544310) has the molecular formula C6H4BrCl2N and a molecular weight of 240.91 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(chloromethyl)pyridine
PubChem CID42544310
Molecular FormulaC6H4BrCl2N
Molecular Weight240.91 g/mol
Exact Mass238.89
IUPAC Name5-bromo-2-chloro-3-(chloromethyl)pyridine
SMILESClCc1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2H2
InChIKeyVRZYGANTKSIVBU-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.91
LogP ≤ 53.24
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 5-bromo-2-chloro-3-(chloromethyl)pyridine?
The IUPAC name of 5-bromo-2-chloro-3-(chloromethyl)pyridine (CID 42544310) is 5-bromo-2-chloro-3-(chloromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-(chloromethyl)pyridine?
The canonical SMILES for 5-bromo-2-chloro-3-(chloromethyl)pyridine is ClCc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-(chloromethyl)pyridine?
The InChIKey is VRZYGANTKSIVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2H2.
What are the key properties of 5-bromo-2-chloro-3-(chloromethyl)pyridine?
5-bromo-2-chloro-3-(chloromethyl)pyridine has a molecular weight of 240.91 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(chloromethyl)pyridine is sourced from PubChem (CID 42544310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).