1-methyl-2H-indol-2-ide;zinc;hydrobromide

C9H9BrNZn- — CID 87245815

IUPAC1-methyl-2H-indol-2-ide;zinc;hydrobromide
SMILESBr.Cn1[c-]cc2ccccc21.[Zn]
InChIInChI=1S/C9H8N.BrH.Zn/c1-10-7-6-8-4-2-3-5-9(8)10;;/h2-6H,1H3;1H;/q-1;;
InChIKeyGHEJEMXKWPYFRX-UHFFFAOYSA-N
MW276.47 g/mol
LogP2.55
Rot. Bonds

About 1-methyl-2H-indol-2-ide;zinc;hydrobromide

1-methyl-2H-indol-2-ide;zinc;hydrobromide (PubChem CID 87245815) has the molecular formula C9H9BrNZn- and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-methyl-2H-indol-2-ide;zinc;hydrobromide.

Molecular Properties

Compound Name1-methyl-2H-indol-2-ide;zinc;hydrobromide
PubChem CID87245815
Molecular FormulaC9H9BrNZn-
Molecular Weight276.47 g/mol
Exact Mass273.92
IUPAC Name1-methyl-2H-indol-2-ide;zinc;hydrobromide
SMILESBr.Cn1[c-]cc2ccccc21.[Zn]
InChIInChI=1S/C9H8N.BrH.Zn/c1-10-7-6-8-4-2-3-5-9(8)10;;/h2-6H,1H3;1H;/q-1;;
InChIKeyGHEJEMXKWPYFRX-UHFFFAOYSA-N
XLogP2.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-indol-2-ide;zinc;hydrobromide?
The IUPAC name of 1-methyl-2H-indol-2-ide;zinc;hydrobromide (CID 87245815) is 1-methyl-2H-indol-2-ide;zinc;hydrobromide.
What is the SMILES notation for 1-methyl-2H-indol-2-ide;zinc;hydrobromide?
The canonical SMILES for 1-methyl-2H-indol-2-ide;zinc;hydrobromide is Br.Cn1[c-]cc2ccccc21.[Zn].
What is the InChIKey of 1-methyl-2H-indol-2-ide;zinc;hydrobromide?
The InChIKey is GHEJEMXKWPYFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N.BrH.Zn/c1-10-7-6-8-4-2-3-5-9(8)10;;/h2-6H,1H3;1H;/q-1;;.
What are the key properties of 1-methyl-2H-indol-2-ide;zinc;hydrobromide?
1-methyl-2H-indol-2-ide;zinc;hydrobromide has a molecular weight of 276.47 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-indol-2-ide;zinc;hydrobromide is sourced from PubChem (CID 87245815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).