3-bromo-2-chloro-5-iodo-6-methylpyridine

C6H4BrClIN — CID 130133378

IUPAC3-bromo-2-chloro-5-iodo-6-methylpyridine
SMILESCc1nc(Cl)c(Br)cc1I
InChIInChI=1S/C6H4BrClIN/c1-3-5(9)2-4(7)6(8)10-3/h2H,1H3
InChIKeyXWUCWFWHGGMYAV-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.41
Rot. Bonds

About 3-bromo-2-chloro-5-iodo-6-methylpyridine

3-bromo-2-chloro-5-iodo-6-methylpyridine (PubChem CID 130133378) has the molecular formula C6H4BrClIN and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-iodo-6-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-iodo-6-methylpyridine
PubChem CID130133378
Molecular FormulaC6H4BrClIN
Molecular Weight332.37 g/mol
Exact Mass330.83
IUPAC Name3-bromo-2-chloro-5-iodo-6-methylpyridine
SMILESCc1nc(Cl)c(Br)cc1I
InChIInChI=1S/C6H4BrClIN/c1-3-5(9)2-4(7)6(8)10-3/h2H,1H3
InChIKeyXWUCWFWHGGMYAV-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-iodo-6-methylpyridine?
The IUPAC name of 3-bromo-2-chloro-5-iodo-6-methylpyridine (CID 130133378) is 3-bromo-2-chloro-5-iodo-6-methylpyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-iodo-6-methylpyridine?
The canonical SMILES for 3-bromo-2-chloro-5-iodo-6-methylpyridine is Cc1nc(Cl)c(Br)cc1I.
What is the InChIKey of 3-bromo-2-chloro-5-iodo-6-methylpyridine?
The InChIKey is XWUCWFWHGGMYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClIN/c1-3-5(9)2-4(7)6(8)10-3/h2H,1H3.
What are the key properties of 3-bromo-2-chloro-5-iodo-6-methylpyridine?
3-bromo-2-chloro-5-iodo-6-methylpyridine has a molecular weight of 332.37 g/mol, XLogP of 3.41, 0 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-iodo-6-methylpyridine is sourced from PubChem (CID 130133378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).