2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole

C13H10ClNS — CID 131886787

IUPAC2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1
InChIInChI=1S/C13H10ClNS/c1-8-2-3-10-9(6-8)7-11(15-10)12-4-5-13(14)16-12/h2-7,15H,1H3
InChIKeyRFXSTQVUTNAVPJ-UHFFFAOYSA-N
MW247.75 g/mol
LogP4.86
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole

2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole (PubChem CID 131886787) has the molecular formula C13H10ClNS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole
PubChem CID131886787
Molecular FormulaC13H10ClNS
Molecular Weight247.75 g/mol
Exact Mass247.02
IUPAC Name2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1
InChIInChI=1S/C13H10ClNS/c1-8-2-3-10-9(6-8)7-11(15-10)12-4-5-13(14)16-12/h2-7,15H,1H3
InChIKeyRFXSTQVUTNAVPJ-UHFFFAOYSA-N
XLogP4.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole (CID 131886787) is 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole is Cc1ccc2[nH]c(-c3ccc(Cl)s3)cc2c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole?
The InChIKey is RFXSTQVUTNAVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNS/c1-8-2-3-10-9(6-8)7-11(15-10)12-4-5-13(14)16-12/h2-7,15H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole?
2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole has a molecular weight of 247.75 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-methyl-1H-indole is sourced from PubChem (CID 131886787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).