3-bromoindol-3-ol

C8H6BrNO — CID 68520694

IUPAC3-bromoindol-3-ol
SMILESOC1(Br)C=Nc2ccccc21
InChIInChI=1S/C8H6BrNO/c9-8(11)5-10-7-4-2-1-3-6(7)8/h1-5,11H
InChIKeyTYMGQEPBXKEAFM-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.94
Rot. Bonds

About 3-bromoindol-3-ol

3-bromoindol-3-ol (PubChem CID 68520694) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromoindol-3-ol.

Molecular Properties

Compound Name3-bromoindol-3-ol
PubChem CID68520694
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name3-bromoindol-3-ol
SMILESOC1(Br)C=Nc2ccccc21
InChIInChI=1S/C8H6BrNO/c9-8(11)5-10-7-4-2-1-3-6(7)8/h1-5,11H
InChIKeyTYMGQEPBXKEAFM-UHFFFAOYSA-N
XLogP1.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromoindol-3-ol?
The IUPAC name of 3-bromoindol-3-ol (CID 68520694) is 3-bromoindol-3-ol.
What is the SMILES notation for 3-bromoindol-3-ol?
The canonical SMILES for 3-bromoindol-3-ol is OC1(Br)C=Nc2ccccc21.
What is the InChIKey of 3-bromoindol-3-ol?
The InChIKey is TYMGQEPBXKEAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-8(11)5-10-7-4-2-1-3-6(7)8/h1-5,11H.
What are the key properties of 3-bromoindol-3-ol?
3-bromoindol-3-ol has a molecular weight of 212.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoindol-3-ol is sourced from PubChem (CID 68520694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).