2,3-dihydro-1H-indole-5,6-diol;hydrobromide

C8H10BrNO2 — CID 22020437

IUPAC2,3-dihydro-1H-indole-5,6-diol;hydrobromide
SMILESBr.Oc1cc2c(cc1O)NCC2
InChIInChI=1S/C8H9NO2.BrH/c10-7-3-5-1-2-9-6(5)4-8(7)11;/h3-4,9-11H,1-2H2;1H
InChIKeyTXMQOPNBBITFNX-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.64
Rot. Bonds

About 2,3-dihydro-1H-indole-5,6-diol;hydrobromide

2,3-dihydro-1H-indole-5,6-diol;hydrobromide (PubChem CID 22020437) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole-5,6-diol;hydrobromide.

Molecular Properties

Compound Name2,3-dihydro-1H-indole-5,6-diol;hydrobromide
PubChem CID22020437
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2,3-dihydro-1H-indole-5,6-diol;hydrobromide
SMILESBr.Oc1cc2c(cc1O)NCC2
InChIInChI=1S/C8H9NO2.BrH/c10-7-3-5-1-2-9-6(5)4-8(7)11;/h3-4,9-11H,1-2H2;1H
InChIKeyTXMQOPNBBITFNX-UHFFFAOYSA-N
XLogP1.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole-5,6-diol;hydrobromide?
The IUPAC name of 2,3-dihydro-1H-indole-5,6-diol;hydrobromide (CID 22020437) is 2,3-dihydro-1H-indole-5,6-diol;hydrobromide.
What is the SMILES notation for 2,3-dihydro-1H-indole-5,6-diol;hydrobromide?
The canonical SMILES for 2,3-dihydro-1H-indole-5,6-diol;hydrobromide is Br.Oc1cc2c(cc1O)NCC2.
What is the InChIKey of 2,3-dihydro-1H-indole-5,6-diol;hydrobromide?
The InChIKey is TXMQOPNBBITFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.BrH/c10-7-3-5-1-2-9-6(5)4-8(7)11;/h3-4,9-11H,1-2H2;1H.
What are the key properties of 2,3-dihydro-1H-indole-5,6-diol;hydrobromide?
2,3-dihydro-1H-indole-5,6-diol;hydrobromide has a molecular weight of 232.08 g/mol, XLogP of 1.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole-5,6-diol;hydrobromide is sourced from PubChem (CID 22020437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).