5-bromo-1,2,3,3-tetramethylindol-1-ium iodide

C12H15BrIN — CID 15476030

IUPAC5-bromo-1,2,3,3-tetramethylindol-1-ium iodide
SMILESCC1=[N+](C)c2ccc(Br)cc2C1(C)C.[I-]
InChIInChI=1S/C12H15BrN.HI/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4;/h5-7H,1-4H3;1H/q+1;/p-1
InChIKeyRVDOYGBHVOFNSZ-UHFFFAOYSA-M
MW380.07 g/mol
LogP0.48
Rot. Bonds

About 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide

5-bromo-1,2,3,3-tetramethylindol-1-ium iodide (PubChem CID 15476030) has the molecular formula C12H15BrIN and a molecular weight of 380.07 g/mol. Its IUPAC name is 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide.

Molecular Properties

Compound Name5-bromo-1,2,3,3-tetramethylindol-1-ium iodide
PubChem CID15476030
Molecular FormulaC12H15BrIN
Molecular Weight380.07 g/mol
Exact Mass378.94
IUPAC Name5-bromo-1,2,3,3-tetramethylindol-1-ium iodide
SMILESCC1=[N+](C)c2ccc(Br)cc2C1(C)C.[I-]
InChIInChI=1S/C12H15BrN.HI/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4;/h5-7H,1-4H3;1H/q+1;/p-1
InChIKeyRVDOYGBHVOFNSZ-UHFFFAOYSA-M
XLogP0.48
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.07
LogP ≤ 50.48
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 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide?
The IUPAC name of 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide (CID 15476030) is 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide.
What is the SMILES notation for 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide?
The canonical SMILES for 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide is CC1=[N+](C)c2ccc(Br)cc2C1(C)C.[I-].
What is the InChIKey of 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide?
The InChIKey is RVDOYGBHVOFNSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15BrN.HI/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4;/h5-7H,1-4H3;1H/q+1;/p-1.
What are the key properties of 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide?
5-bromo-1,2,3,3-tetramethylindol-1-ium iodide has a molecular weight of 380.07 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,3,3-tetramethylindol-1-ium iodide is sourced from PubChem (CID 15476030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).