1-methylindole-5,6-diol;hydrobromide

C9H10BrNO2 — CID 22287706

IUPAC1-methylindole-5,6-diol;hydrobromide
SMILESBr.Cn1ccc2cc(O)c(O)cc21
InChIInChI=1S/C9H9NO2.BrH/c1-10-3-2-6-4-8(11)9(12)5-7(6)10;/h2-5,11-12H,1H3;1H
InChIKeyHJAFWLWMNQYEPZ-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.17
Rot. Bonds

About 1-methylindole-5,6-diol;hydrobromide

1-methylindole-5,6-diol;hydrobromide (PubChem CID 22287706) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 1-methylindole-5,6-diol;hydrobromide.

Molecular Properties

Compound Name1-methylindole-5,6-diol;hydrobromide
PubChem CID22287706
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name1-methylindole-5,6-diol;hydrobromide
SMILESBr.Cn1ccc2cc(O)c(O)cc21
InChIInChI=1S/C9H9NO2.BrH/c1-10-3-2-6-4-8(11)9(12)5-7(6)10;/h2-5,11-12H,1H3;1H
InChIKeyHJAFWLWMNQYEPZ-UHFFFAOYSA-N
XLogP2.17
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylindole-5,6-diol;hydrobromide?
The IUPAC name of 1-methylindole-5,6-diol;hydrobromide (CID 22287706) is 1-methylindole-5,6-diol;hydrobromide.
What is the SMILES notation for 1-methylindole-5,6-diol;hydrobromide?
The canonical SMILES for 1-methylindole-5,6-diol;hydrobromide is Br.Cn1ccc2cc(O)c(O)cc21.
What is the InChIKey of 1-methylindole-5,6-diol;hydrobromide?
The InChIKey is HJAFWLWMNQYEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.BrH/c1-10-3-2-6-4-8(11)9(12)5-7(6)10;/h2-5,11-12H,1H3;1H.
What are the key properties of 1-methylindole-5,6-diol;hydrobromide?
1-methylindole-5,6-diol;hydrobromide has a molecular weight of 244.09 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-5,6-diol;hydrobromide is sourced from PubChem (CID 22287706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).