2,6-dichloroindol-2-ol

C8H5Cl2NO — CID 138811040

IUPAC2,6-dichloroindol-2-ol
SMILESOC1(Cl)C=c2ccc(Cl)cc2=N1
InChIInChI=1S/C8H5Cl2NO/c9-6-2-1-5-4-8(10,12)11-7(5)3-6/h1-4,12H
InChIKeyNDDWKWWYFZQUEX-UHFFFAOYSA-N
MW202.04 g/mol
LogP0.64
Rot. Bonds

About 2,6-dichloroindol-2-ol

2,6-dichloroindol-2-ol (PubChem CID 138811040) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 2,6-dichloroindol-2-ol.

Molecular Properties

Compound Name2,6-dichloroindol-2-ol
PubChem CID138811040
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name2,6-dichloroindol-2-ol
SMILESOC1(Cl)C=c2ccc(Cl)cc2=N1
InChIInChI=1S/C8H5Cl2NO/c9-6-2-1-5-4-8(10,12)11-7(5)3-6/h1-4,12H
InChIKeyNDDWKWWYFZQUEX-UHFFFAOYSA-N
XLogP0.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloroindol-2-ol?
The IUPAC name of 2,6-dichloroindol-2-ol (CID 138811040) is 2,6-dichloroindol-2-ol.
What is the SMILES notation for 2,6-dichloroindol-2-ol?
The canonical SMILES for 2,6-dichloroindol-2-ol is OC1(Cl)C=c2ccc(Cl)cc2=N1.
What is the InChIKey of 2,6-dichloroindol-2-ol?
The InChIKey is NDDWKWWYFZQUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-6-2-1-5-4-8(10,12)11-7(5)3-6/h1-4,12H.
What are the key properties of 2,6-dichloroindol-2-ol?
2,6-dichloroindol-2-ol has a molecular weight of 202.04 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloroindol-2-ol is sourced from PubChem (CID 138811040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).