1-bromoindol-2-ol

C8H6BrNO — CID 57225193

IUPAC1-bromoindol-2-ol
SMILESOc1cc2ccccc2n1Br
InChIInChI=1S/C8H6BrNO/c9-10-7-4-2-1-3-6(7)5-8(10)11/h1-5,11H
InChIKeyGTVUEWJOZHBUIE-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.50
Rot. Bonds

About 1-bromoindol-2-ol

1-bromoindol-2-ol (PubChem CID 57225193) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 1-bromoindol-2-ol.

Molecular Properties

Compound Name1-bromoindol-2-ol
PubChem CID57225193
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name1-bromoindol-2-ol
SMILESOc1cc2ccccc2n1Br
InChIInChI=1S/C8H6BrNO/c9-10-7-4-2-1-3-6(7)5-8(10)11/h1-5,11H
InChIKeyGTVUEWJOZHBUIE-UHFFFAOYSA-N
XLogP2.50
TPSA25.16 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromoindol-2-ol?
The IUPAC name of 1-bromoindol-2-ol (CID 57225193) is 1-bromoindol-2-ol.
What is the SMILES notation for 1-bromoindol-2-ol?
The canonical SMILES for 1-bromoindol-2-ol is Oc1cc2ccccc2n1Br.
What is the InChIKey of 1-bromoindol-2-ol?
The InChIKey is GTVUEWJOZHBUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-10-7-4-2-1-3-6(7)5-8(10)11/h1-5,11H.
What are the key properties of 1-bromoindol-2-ol?
1-bromoindol-2-ol has a molecular weight of 212.05 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoindol-2-ol is sourced from PubChem (CID 57225193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).