2-formyl-1H-indole-5-carbonitrile

C10H6N2O — CID 11579193

IUPAC2-formyl-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(C=O)cc2c1
InChIInChI=1S/C10H6N2O/c11-5-7-1-2-10-8(3-7)4-9(6-13)12-10/h1-4,6,12H
InChIKeyJKTIDDAYCYZLHY-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.85
Rot. Bonds1

About 2-formyl-1H-indole-5-carbonitrile

2-formyl-1H-indole-5-carbonitrile (PubChem CID 11579193) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-formyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-formyl-1H-indole-5-carbonitrile
PubChem CID11579193
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name2-formyl-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(C=O)cc2c1
InChIInChI=1S/C10H6N2O/c11-5-7-1-2-10-8(3-7)4-9(6-13)12-10/h1-4,6,12H
InChIKeyJKTIDDAYCYZLHY-UHFFFAOYSA-N
XLogP1.85
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-1H-indole-5-carbonitrile?
The IUPAC name of 2-formyl-1H-indole-5-carbonitrile (CID 11579193) is 2-formyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-formyl-1H-indole-5-carbonitrile?
The canonical SMILES for 2-formyl-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(C=O)cc2c1.
What is the InChIKey of 2-formyl-1H-indole-5-carbonitrile?
The InChIKey is JKTIDDAYCYZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-5-7-1-2-10-8(3-7)4-9(6-13)12-10/h1-4,6,12H.
What are the key properties of 2-formyl-1H-indole-5-carbonitrile?
2-formyl-1H-indole-5-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 11579193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).