3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile

C14H6Br2N2OS — CID 107916704

IUPAC3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3cc(Br)c(Br)s3)c[nH]c2c1
InChIInChI=1S/C14H6Br2N2OS/c15-10-4-12(20-14(10)16)13(19)9-6-18-11-3-7(5-17)1-2-8(9)11/h1-4,6,18H
InChIKeyAWAVZUUNMAHEOO-UHFFFAOYSA-N
MW410.09 g/mol
LogP4.86
Rot. Bonds2

About 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile

3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile (PubChem CID 107916704) has the molecular formula C14H6Br2N2OS and a molecular weight of 410.09 g/mol. Its IUPAC name is 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
PubChem CID107916704
Molecular FormulaC14H6Br2N2OS
Molecular Weight410.09 g/mol
Exact Mass407.86
IUPAC Name3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3cc(Br)c(Br)s3)c[nH]c2c1
InChIInChI=1S/C14H6Br2N2OS/c15-10-4-12(20-14(10)16)13(19)9-6-18-11-3-7(5-17)1-2-8(9)11/h1-4,6,18H
InChIKeyAWAVZUUNMAHEOO-UHFFFAOYSA-N
XLogP4.86
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.09
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-4-methylthiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916791
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107917681
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107916761

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile (CID 107916704) is 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile is N#Cc1ccc2c(C(=O)c3cc(Br)c(Br)s3)c[nH]c2c1.
What is the InChIKey of 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile?
The InChIKey is AWAVZUUNMAHEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2N2OS/c15-10-4-12(20-14(10)16)13(19)9-6-18-11-3-7(5-17)1-2-8(9)11/h1-4,6,18H.
What are the key properties of 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile?
3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile has a molecular weight of 410.09 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107916704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).