3-(bromomethyl)-5-iodo-2-methylpyridine

C7H7BrIN — CID 133058832

IUPAC3-(bromomethyl)-5-iodo-2-methylpyridine
SMILESCc1ncc(I)cc1CBr
InChIInChI=1S/C7H7BrIN/c1-5-6(3-8)2-7(9)4-10-5/h2,4H,3H2,1H3
InChIKeyQGYIXEVRWLJNBZ-UHFFFAOYSA-N
MW311.95 g/mol
LogP2.89
Rot. Bonds1

About 3-(bromomethyl)-5-iodo-2-methylpyridine

3-(bromomethyl)-5-iodo-2-methylpyridine (PubChem CID 133058832) has the molecular formula C7H7BrIN and a molecular weight of 311.95 g/mol. Its IUPAC name is 3-(bromomethyl)-5-iodo-2-methylpyridine.

Molecular Properties

Compound Name3-(bromomethyl)-5-iodo-2-methylpyridine
PubChem CID133058832
Molecular FormulaC7H7BrIN
Molecular Weight311.95 g/mol
Exact Mass310.88
IUPAC Name3-(bromomethyl)-5-iodo-2-methylpyridine
SMILESCc1ncc(I)cc1CBr
InChIInChI=1S/C7H7BrIN/c1-5-6(3-8)2-7(9)4-10-5/h2,4H,3H2,1H3
InChIKeyQGYIXEVRWLJNBZ-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.95
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-(bromomethyl)-5-iodo-2-methylpyridine?
The IUPAC name of 3-(bromomethyl)-5-iodo-2-methylpyridine (CID 133058832) is 3-(bromomethyl)-5-iodo-2-methylpyridine.
What is the SMILES notation for 3-(bromomethyl)-5-iodo-2-methylpyridine?
The canonical SMILES for 3-(bromomethyl)-5-iodo-2-methylpyridine is Cc1ncc(I)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-5-iodo-2-methylpyridine?
The InChIKey is QGYIXEVRWLJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrIN/c1-5-6(3-8)2-7(9)4-10-5/h2,4H,3H2,1H3.
What are the key properties of 3-(bromomethyl)-5-iodo-2-methylpyridine?
3-(bromomethyl)-5-iodo-2-methylpyridine has a molecular weight of 311.95 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-iodo-2-methylpyridine is sourced from PubChem (CID 133058832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).