2-(bromomethyl)-6-iodopyridine

C6H5BrIN — CID 119084296

IUPAC2-(bromomethyl)-6-iodopyridine
SMILESBrCc1cccc(I)n1
InChIInChI=1S/C6H5BrIN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKeySQJQBOJFCSYMCR-UHFFFAOYSA-N
MW297.92 g/mol
LogP2.58
Rot. Bonds1

About 2-(bromomethyl)-6-iodopyridine

2-(bromomethyl)-6-iodopyridine (PubChem CID 119084296) has the molecular formula C6H5BrIN and a molecular weight of 297.92 g/mol. Its IUPAC name is 2-(bromomethyl)-6-iodopyridine.

Molecular Properties

Compound Name2-(bromomethyl)-6-iodopyridine
PubChem CID119084296
Molecular FormulaC6H5BrIN
Molecular Weight297.92 g/mol
Exact Mass296.87
IUPAC Name2-(bromomethyl)-6-iodopyridine
SMILESBrCc1cccc(I)n1
InChIInChI=1S/C6H5BrIN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKeySQJQBOJFCSYMCR-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.92
LogP ≤ 52.58
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-iodopyridine?
The IUPAC name of 2-(bromomethyl)-6-iodopyridine (CID 119084296) is 2-(bromomethyl)-6-iodopyridine.
What is the SMILES notation for 2-(bromomethyl)-6-iodopyridine?
The canonical SMILES for 2-(bromomethyl)-6-iodopyridine is BrCc1cccc(I)n1.
What is the InChIKey of 2-(bromomethyl)-6-iodopyridine?
The InChIKey is SQJQBOJFCSYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrIN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2.
What are the key properties of 2-(bromomethyl)-6-iodopyridine?
2-(bromomethyl)-6-iodopyridine has a molecular weight of 297.92 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-iodopyridine is sourced from PubChem (CID 119084296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).