1-(pyridin-4-ylmethyl)indole-6-carbonitrile

C15H11N3 — CID 107916985

IUPAC1-(pyridin-4-ylmethyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3ccncc3)c2c1
InChIInChI=1S/C15H11N3/c16-10-13-1-2-14-5-8-18(15(14)9-13)11-12-3-6-17-7-4-12/h1-9H,11H2
InChIKeyALBMODBAXSVWHB-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.96
Rot. Bonds2

About 1-(pyridin-4-ylmethyl)indole-6-carbonitrile

1-(pyridin-4-ylmethyl)indole-6-carbonitrile (PubChem CID 107916985) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)indole-6-carbonitrile
PubChem CID107916985
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name1-(pyridin-4-ylmethyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3ccncc3)c2c1
InChIInChI=1S/C15H11N3/c16-10-13-1-2-14-5-8-18(15(14)9-13)11-12-3-6-17-7-4-12/h1-9H,11H2
InChIKeyALBMODBAXSVWHB-UHFFFAOYSA-N
XLogP2.96
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)indole-6-carbonitrile?
The IUPAC name of 1-(pyridin-4-ylmethyl)indole-6-carbonitrile (CID 107916985) is 1-(pyridin-4-ylmethyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)indole-6-carbonitrile?
The canonical SMILES for 1-(pyridin-4-ylmethyl)indole-6-carbonitrile is N#Cc1ccc2ccn(Cc3ccncc3)c2c1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)indole-6-carbonitrile?
The InChIKey is ALBMODBAXSVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-10-13-1-2-14-5-8-18(15(14)9-13)11-12-3-6-17-7-4-12/h1-9H,11H2.
What are the key properties of 1-(pyridin-4-ylmethyl)indole-6-carbonitrile?
1-(pyridin-4-ylmethyl)indole-6-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)indole-6-carbonitrile is sourced from PubChem (CID 107916985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).