1-chloro-3-diazenylindol-2-ol

C8H6ClN3O — CID 159298117

IUPAC1-chloro-3-diazenylindol-2-ol
SMILES[H]/N=N/c1c(O)n(Cl)c2ccccc12
InChIInChI=1S/C8H6ClN3O/c9-12-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4,10,13H/b11-10+
InChIKeyNDBBAKYXHJAPES-ZHACJKMWSA-N
MW195.61 g/mol
LogP3.01
Rot. Bonds1

About 1-chloro-3-diazenylindol-2-ol

1-chloro-3-diazenylindol-2-ol (PubChem CID 159298117) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 1-chloro-3-diazenylindol-2-ol.

Molecular Properties

Compound Name1-chloro-3-diazenylindol-2-ol
PubChem CID159298117
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name1-chloro-3-diazenylindol-2-ol
SMILES[H]/N=N/c1c(O)n(Cl)c2ccccc12
InChIInChI=1S/C8H6ClN3O/c9-12-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4,10,13H/b11-10+
InChIKeyNDBBAKYXHJAPES-ZHACJKMWSA-N
XLogP3.01
TPSA61.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-diazenylindol-2-ol?
The IUPAC name of 1-chloro-3-diazenylindol-2-ol (CID 159298117) is 1-chloro-3-diazenylindol-2-ol.
What is the SMILES notation for 1-chloro-3-diazenylindol-2-ol?
The canonical SMILES for 1-chloro-3-diazenylindol-2-ol is [H]/N=N/c1c(O)n(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-3-diazenylindol-2-ol?
The InChIKey is NDBBAKYXHJAPES-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-12-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4,10,13H/b11-10+.
What are the key properties of 1-chloro-3-diazenylindol-2-ol?
1-chloro-3-diazenylindol-2-ol has a molecular weight of 195.61 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-diazenylindol-2-ol is sourced from PubChem (CID 159298117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).