2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde

C13H9NOS2 — CID 19940143

IUPAC2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C13H9NOS2/c15-8-9-7-10(11-3-1-5-16-11)14-13(9)12-4-2-6-17-12/h1-8,14H
InChIKeyIPYRIXHPEZIMHP-UHFFFAOYSA-N
MW259.36 g/mol
LogP4.28
Rot. Bonds3

About 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde

2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde (PubChem CID 19940143) has the molecular formula C13H9NOS2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde
PubChem CID19940143
Molecular FormulaC13H9NOS2
Molecular Weight259.36 g/mol
Exact Mass259.01
IUPAC Name2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde
SMILESO=Cc1cc(-c2cccs2)[nH]c1-c1cccs1
InChIInChI=1S/C13H9NOS2/c15-8-9-7-10(11-3-1-5-16-11)14-13(9)12-4-2-6-17-12/h1-8,14H
InChIKeyIPYRIXHPEZIMHP-UHFFFAOYSA-N
XLogP4.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 1201026
5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde
CID 374810
5-pyridin-4-yl-2-thiophen-3-yl-1H-pyrrole-3-carboxamide
CID 24809730
1-(2,4-dimethyl-5-thiophen-3-yl-1H-pyrrol-3-yl)ethanone
CID 168293387
2-(Thiophen-2-yl)-1H-indole-3-carbaldehyde
CID 12207875
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-1H-indole-3-carbaldehyde
CID 3722111
3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-thiophen-2-ylprop-2-yn-1-one
CID 134849442
3-[5-(2-fluorophenyl)-1H-pyrrol-2-yl]-1-thiophen-2-ylprop-2-yn-1-one
CID 134849858
3-[5-(3-fluorophenyl)-1H-pyrrol-2-yl]-1-thiophen-2-ylprop-2-yn-1-one
CID 134849859
3-Acetyl-2,5-dithienylpyrrole
CID 19940135
3,5-Bis-(2'-thienyl)-pyrrol
CID 396573
5-(4-fluorophenyl)-2-methyl-N-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 22518256

Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde?
The IUPAC name of 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde (CID 19940143) is 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde?
The canonical SMILES for 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde is O=Cc1cc(-c2cccs2)[nH]c1-c1cccs1.
What is the InChIKey of 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde?
The InChIKey is IPYRIXHPEZIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS2/c15-8-9-7-10(11-3-1-5-16-11)14-13(9)12-4-2-6-17-12/h1-8,14H.
What are the key properties of 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde?
2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde has a molecular weight of 259.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-yl-1H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 19940143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).