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

C6H4BrCl2N — CID 24990433

IUPAC3-bromo-2-chloro-5-(chloromethyl)pyridine
SMILESClCc1cnc(Cl)c(Br)c1
InChIInChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,2H2
InChIKeyQLDHITAFZVTABS-UHFFFAOYSA-N
MW240.91 g/mol
LogP3.24
Rot. Bonds1

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

3-bromo-2-chloro-5-(chloromethyl)pyridine (PubChem CID 24990433) has the molecular formula C6H4BrCl2N and a molecular weight of 240.91 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(chloromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(chloromethyl)pyridine
PubChem CID24990433
Molecular FormulaC6H4BrCl2N
Molecular Weight240.91 g/mol
Exact Mass238.89
IUPAC Name3-bromo-2-chloro-5-(chloromethyl)pyridine
SMILESClCc1cnc(Cl)c(Br)c1
InChIInChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,2H2
InChIKeyQLDHITAFZVTABS-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'}

Analyze 3-bromo-2-chloro-5-(chloromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Chloromethyl)pyridine hydrochloride
CID 23394
2,3-Dichloro-5-(trichloromethyl)pyridine
CID 94647
3-(Chloromethyl)pyridine
CID 18358
2-Bromo-5-chloropyridine
CID 817098
2-Chloro-5-methyl-pyridine
CID 581393
2-Chloro-5-(chloromethyl)pyridine
CID 155479
3-(Aminomethyl)-5-bromopyridine
CID 22992264
2-Chloro-3-methylpyridine
CID 87603
2-Bromo-3-methylpyridine
CID 220832
5-Bromonicotinonitrile
CID 736793
5-Bromo-2-chloro-3-methylpyridine
CID 285434
4-Bromo-3-methylpyridine hydrochloride
CID 18958774

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(chloromethyl)pyridine?
The IUPAC name of 3-bromo-2-chloro-5-(chloromethyl)pyridine (CID 24990433) is 3-bromo-2-chloro-5-(chloromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-(chloromethyl)pyridine?
The canonical SMILES for 3-bromo-2-chloro-5-(chloromethyl)pyridine is ClCc1cnc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-chloro-5-(chloromethyl)pyridine?
The InChIKey is QLDHITAFZVTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2N/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,2H2.
What are the key properties of 3-bromo-2-chloro-5-(chloromethyl)pyridine?
3-bromo-2-chloro-5-(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 3-bromo-2-chloro-5-(chloromethyl)pyridine is sourced from PubChem (CID 24990433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).