3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile

C15H9BrN2OS — CID 107916791

IUPAC3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
SMILESCc1cc(C(=O)c2c[nH]c3cc(C#N)ccc23)sc1Br
InChIInChI=1S/C15H9BrN2OS/c1-8-4-13(20-15(8)16)14(19)11-7-18-12-5-9(6-17)2-3-10(11)12/h2-5,7,18H,1H3
InChIKeyNLICVOVRSNXBSQ-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.40
Rot. Bonds2

About 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile

3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile (PubChem CID 107916791) has the molecular formula C15H9BrN2OS and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
PubChem CID107916791
Molecular FormulaC15H9BrN2OS
Molecular Weight345.22 g/mol
Exact Mass343.96
IUPAC Name3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
SMILESCc1cc(C(=O)c2c[nH]c3cc(C#N)ccc23)sc1Br
InChIInChI=1S/C15H9BrN2OS/c1-8-4-13(20-15(8)16)14(19)11-7-18-12-5-9(6-17)2-3-10(11)12/h2-5,7,18H,1H3
InChIKeyNLICVOVRSNXBSQ-UHFFFAOYSA-N
XLogP4.40
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916704
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
(6-bromo-1H-indol-3-yl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237633
3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
(5-bromo-4-methylthiophen-2-yl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103427940

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile (CID 107916791) is 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile is Cc1cc(C(=O)c2c[nH]c3cc(C#N)ccc23)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile?
The InChIKey is NLICVOVRSNXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2OS/c1-8-4-13(20-15(8)16)14(19)11-7-18-12-5-9(6-17)2-3-10(11)12/h2-5,7,18H,1H3.
What are the key properties of 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile?
3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile has a molecular weight of 345.22 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).