4-bromo-1-methylpyridin-1-ium iodide

C6H7BrIN — CID 12934371

IUPAC4-bromo-1-methylpyridin-1-ium iodide
SMILESC[n+]1ccc(Br)cc1.[I-]
InChIInChI=1S/C6H7BrN.HI/c1-8-4-2-6(7)3-5-8;/h2-5H,1H3;1H/q+1;/p-1
InChIKeyGDIXGNXJZRRMQO-UHFFFAOYSA-M
MW299.94 g/mol
LogP-1.72
Rot. Bonds

About 4-bromo-1-methylpyridin-1-ium iodide

4-bromo-1-methylpyridin-1-ium iodide (PubChem CID 12934371) has the molecular formula C6H7BrIN and a molecular weight of 299.94 g/mol. Its IUPAC name is 4-bromo-1-methylpyridin-1-ium iodide.

Molecular Properties

Compound Name4-bromo-1-methylpyridin-1-ium iodide
PubChem CID12934371
Molecular FormulaC6H7BrIN
Molecular Weight299.94 g/mol
Exact Mass298.88
IUPAC Name4-bromo-1-methylpyridin-1-ium iodide
SMILESC[n+]1ccc(Br)cc1.[I-]
InChIInChI=1S/C6H7BrN.HI/c1-8-4-2-6(7)3-5-8;/h2-5H,1H3;1H/q+1;/p-1
InChIKeyGDIXGNXJZRRMQO-UHFFFAOYSA-M
XLogP-1.72
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyridin-1-ium iodide?
The IUPAC name of 4-bromo-1-methylpyridin-1-ium iodide (CID 12934371) is 4-bromo-1-methylpyridin-1-ium iodide.
What is the SMILES notation for 4-bromo-1-methylpyridin-1-ium iodide?
The canonical SMILES for 4-bromo-1-methylpyridin-1-ium iodide is C[n+]1ccc(Br)cc1.[I-].
What is the InChIKey of 4-bromo-1-methylpyridin-1-ium iodide?
The InChIKey is GDIXGNXJZRRMQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7BrN.HI/c1-8-4-2-6(7)3-5-8;/h2-5H,1H3;1H/q+1;/p-1.
What are the key properties of 4-bromo-1-methylpyridin-1-ium iodide?
4-bromo-1-methylpyridin-1-ium iodide has a molecular weight of 299.94 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyridin-1-ium iodide is sourced from PubChem (CID 12934371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).