3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile

C13H7ClN2S — CID 135380382

IUPAC3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(-c3ccsc3Cl)c2c1
InChIInChI=1S/C13H7ClN2S/c14-13-9(3-4-17-13)11-7-16-12-2-1-8(6-15)5-10(11)12/h1-5,7,16H
InChIKeyYSWNJAQSWMKNGO-UHFFFAOYSA-N
MW258.73 g/mol
LogP4.42
Rot. Bonds1

About 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile

3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile (PubChem CID 135380382) has the molecular formula C13H7ClN2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile
PubChem CID135380382
Molecular FormulaC13H7ClN2S
Molecular Weight258.73 g/mol
Exact Mass258.00
IUPAC Name3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(-c3ccsc3Cl)c2c1
InChIInChI=1S/C13H7ClN2S/c14-13-9(3-4-17-13)11-7-16-12-2-1-8(6-15)5-10(11)12/h1-5,7,16H
InChIKeyYSWNJAQSWMKNGO-UHFFFAOYSA-N
XLogP4.42
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethynyl-3-[2-(fluoromethyl)thiophen-3-yl]-1H-indole
CID 142472299
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
CID 154728760
ethane;3-methyl-1H-indole-5-carbonitrile
CID 142817780
3-(3,5-dichlorophenyl)sulfonyl-4-oxo-1H-quinoline-6-carbonitrile
CID 45498335
5-bromo-3-(2-bromothiophen-3-yl)-1H-indole
CID 142472315
3-[4-(trifluoromethyl)-1,3-oxazol-5-yl]-1H-indole-5-carbonitrile
CID 155227556
3-acetyl-1H-indole-5-carbonitrile
CID 28505
3-(2,6-dichlorobenzoyl)-1H-indole-5-carbonitrile
CID 107919886
3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1H-indole-5-carbonitrile
CID 19591652
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
3-[(E)-4-chloro-3-oxobut-1-enyl]-1H-indole-5-carbonitrile
CID 107919750

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile (CID 135380382) is 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(-c3ccsc3Cl)c2c1.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile?
The InChIKey is YSWNJAQSWMKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2S/c14-13-9(3-4-17-13)11-7-16-12-2-1-8(6-15)5-10(11)12/h1-5,7,16H.
What are the key properties of 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile?
3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile has a molecular weight of 258.73 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 135380382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).