2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde

C13H8BrNOS — CID 82050108

IUPAC2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Br)s2)[nH]c2ccccc12
InChIInChI=1S/C13H8BrNOS/c14-12-6-5-11(17-12)13-9(7-16)8-3-1-2-4-10(8)15-13/h1-7,15H
InChIKeyOUSLDUJRNGZKEO-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.47
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde

2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde (PubChem CID 82050108) has the molecular formula C13H8BrNOS and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
PubChem CID82050108
Molecular FormulaC13H8BrNOS
Molecular Weight306.18 g/mol
Exact Mass304.95
IUPAC Name2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Br)s2)[nH]c2ccccc12
InChIInChI=1S/C13H8BrNOS/c14-12-6-5-11(17-12)13-9(7-16)8-3-1-2-4-10(8)15-13/h1-7,15H
InChIKeyOUSLDUJRNGZKEO-UHFFFAOYSA-N
XLogP4.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3590182
2,5-bis(5-bromothiophen-2-yl)furan-3,4-dicarbaldehyde
CID 44556553
7-methyl-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3799575
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
2-(5-ethylthiophen-2-yl)-5-methyl-1H-indole-3-carbaldehyde
CID 5238228
3-formyl-2-(5-methylthiophen-2-yl)-1H-indole-5-carbonitrile
CID 3261971
2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 4298784
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde
CID 53392369
2-(5-ethylthiophen-2-yl)-1H-benzo[g]indole-3-carbaldehyde
CID 5131425
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde
CID 42580054
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
CID 58794450

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde (CID 82050108) is 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(Br)s2)[nH]c2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde?
The InChIKey is OUSLDUJRNGZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS/c14-12-6-5-11(17-12)13-9(7-16)8-3-1-2-4-10(8)15-13/h1-7,15H.
What are the key properties of 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde?
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde has a molecular weight of 306.18 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 82050108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).