3,4-dibromo-1H-indol-2-ol

C8H5Br2NO — CID 163362581

IUPAC3,4-dibromo-1H-indol-2-ol
SMILESOc1[nH]c2cccc(Br)c2c1Br
InChIInChI=1S/C8H5Br2NO/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,11-12H
InChIKeyMHFOEEHRGUQZSM-UHFFFAOYSA-N
MW290.94 g/mol
LogP3.40
Rot. Bonds

About 3,4-dibromo-1H-indol-2-ol

3,4-dibromo-1H-indol-2-ol (PubChem CID 163362581) has the molecular formula C8H5Br2NO and a molecular weight of 290.94 g/mol. Its IUPAC name is 3,4-dibromo-1H-indol-2-ol.

Molecular Properties

Compound Name3,4-dibromo-1H-indol-2-ol
PubChem CID163362581
Molecular FormulaC8H5Br2NO
Molecular Weight290.94 g/mol
Exact Mass288.87
IUPAC Name3,4-dibromo-1H-indol-2-ol
SMILESOc1[nH]c2cccc(Br)c2c1Br
InChIInChI=1S/C8H5Br2NO/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,11-12H
InChIKeyMHFOEEHRGUQZSM-UHFFFAOYSA-N
XLogP3.40
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-3-methyl-1H-indole
CID 117127723
1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
CID 82382387
3-amino-4-bromo-1H-indole-2-carboxylic acid
CID 84804837
ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
CID 54708469
2-(aminomethyl)-3-bromo-1H-indol-4-ol
CID 84702327
5-bromo-3-chloro-9H-carbazole
CID 156561509
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
N-[(4-bromo-2-hydroxy-1H-indol-3-yl)imino]oxolane-2-carboxamide
CID 136577169
10-bromo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 142130624
4-bromo-3-methyl-1H-indole
CID 52987704
4-bromo-3-fluoro-1H-indole
CID 66817286
2-benzoyl-4-bromo-1H-indole-3-carbaldehyde
CID 175699295

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1H-indol-2-ol?
The IUPAC name of 3,4-dibromo-1H-indol-2-ol (CID 163362581) is 3,4-dibromo-1H-indol-2-ol.
What is the SMILES notation for 3,4-dibromo-1H-indol-2-ol?
The canonical SMILES for 3,4-dibromo-1H-indol-2-ol is Oc1[nH]c2cccc(Br)c2c1Br.
What is the InChIKey of 3,4-dibromo-1H-indol-2-ol?
The InChIKey is MHFOEEHRGUQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2NO/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3,11-12H.
What are the key properties of 3,4-dibromo-1H-indol-2-ol?
3,4-dibromo-1H-indol-2-ol has a molecular weight of 290.94 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1H-indol-2-ol is sourced from PubChem (CID 163362581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).