2-(1H-indol-5-yl)benzonitrile

C15H10N2 — CID 21468934

IUPAC2-(1H-indol-5-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H10N2/c16-10-13-3-1-2-4-14(13)11-5-6-15-12(9-11)7-8-17-15/h1-9,17H
InChIKeySTWWDBUGFAPDOR-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.71
Rot. Bonds1

About 2-(1H-indol-5-yl)benzonitrile

2-(1H-indol-5-yl)benzonitrile (PubChem CID 21468934) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)benzonitrile.

Molecular Properties

Compound Name2-(1H-indol-5-yl)benzonitrile
PubChem CID21468934
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name2-(1H-indol-5-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H10N2/c16-10-13-3-1-2-4-14(13)11-5-6-15-12(9-11)7-8-17-15/h1-9,17H
InChIKeySTWWDBUGFAPDOR-UHFFFAOYSA-N
XLogP3.71
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(1H-indol-5-yl)phenyl]-1H-indole
CID 102414263
4-amino-5-(1H-indol-5-yl)pyridine-3-carbonitrile
CID 66921057
3-(1H-indol-5-yl)-4,5-dimethoxybenzonitrile
CID 39231418
N-(2-cyanophenyl)-1H-indole-5-carboxamide
CID 63770547
2-hydroxy-6-(1H-indol-5-yl)benzoic acid
CID 174341729
5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
CID 141077944
2-fluoro-5-(1H-indol-4-yl)benzonitrile
CID 22561837
4-(1H-indol-5-yl)-1H-indazol-3-amine
CID 11288115
5-fluoro-1H-indole-6-carbonitrile
CID 67025317
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
4-(1H-indol-5-yl)-N-phenylaniline
CID 134533945
5-(2,4-difluorophenyl)-1H-indole
CID 10176960

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)benzonitrile?
The IUPAC name of 2-(1H-indol-5-yl)benzonitrile (CID 21468934) is 2-(1H-indol-5-yl)benzonitrile.
What is the SMILES notation for 2-(1H-indol-5-yl)benzonitrile?
The canonical SMILES for 2-(1H-indol-5-yl)benzonitrile is N#Cc1ccccc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yl)benzonitrile?
The InChIKey is STWWDBUGFAPDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-10-13-3-1-2-4-14(13)11-5-6-15-12(9-11)7-8-17-15/h1-9,17H.
What are the key properties of 2-(1H-indol-5-yl)benzonitrile?
2-(1H-indol-5-yl)benzonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)benzonitrile is sourced from PubChem (CID 21468934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).