1-hydroxyindole-6-carbonitrile

C9H6N2O — CID 13415512

IUPAC1-hydroxyindole-6-carbonitrile
SMILESN#Cc1ccc2ccn(O)c2c1
InChIInChI=1S/C9H6N2O/c10-6-7-1-2-8-3-4-11(12)9(8)5-7/h1-5,12H
InChIKeyZBCZDYRTMVJAMV-UHFFFAOYSA-N
MW158.16 g/mol
LogP1.75
Rot. Bonds

About 1-hydroxyindole-6-carbonitrile

1-hydroxyindole-6-carbonitrile (PubChem CID 13415512) has the molecular formula C9H6N2O and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-hydroxyindole-6-carbonitrile.

Molecular Properties

Compound Name1-hydroxyindole-6-carbonitrile
PubChem CID13415512
Molecular FormulaC9H6N2O
Molecular Weight158.16 g/mol
Exact Mass158.05
IUPAC Name1-hydroxyindole-6-carbonitrile
SMILESN#Cc1ccc2ccn(O)c2c1
InChIInChI=1S/C9H6N2O/c10-6-7-1-2-8-3-4-11(12)9(8)5-7/h1-5,12H
InChIKeyZBCZDYRTMVJAMV-UHFFFAOYSA-N
XLogP1.75
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-prop-2-enylindole-6-carbonitrile
CID 107917180
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-(2-oxopentyl)indole-6-carbonitrile
CID 107916852
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
2-(6-cyanoindol-1-yl)propanehydrazide
CID 107917648
1-pent-4-enylindole-6-carbonitrile
CID 107917054
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
2-(6-cyanoindol-1-yl)-N-ethyl-N-methylacetamide
CID 114015633

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyindole-6-carbonitrile?
The IUPAC name of 1-hydroxyindole-6-carbonitrile (CID 13415512) is 1-hydroxyindole-6-carbonitrile.
What is the SMILES notation for 1-hydroxyindole-6-carbonitrile?
The canonical SMILES for 1-hydroxyindole-6-carbonitrile is N#Cc1ccc2ccn(O)c2c1.
What is the InChIKey of 1-hydroxyindole-6-carbonitrile?
The InChIKey is ZBCZDYRTMVJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O/c10-6-7-1-2-8-3-4-11(12)9(8)5-7/h1-5,12H.
What are the key properties of 1-hydroxyindole-6-carbonitrile?
1-hydroxyindole-6-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyindole-6-carbonitrile is sourced from PubChem (CID 13415512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).