5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde

C9H5ClINOS — CID 10830793

IUPAC5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(I)c(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C9H5ClINOS/c10-8-2-1-7(14-8)9-6(11)3-5(4-13)12-9/h1-4,12H
InChIKeySJTZODCNDZPKBP-UHFFFAOYSA-N
MW337.57 g/mol
LogP3.81
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde

5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde (PubChem CID 10830793) has the molecular formula C9H5ClINOS and a molecular weight of 337.57 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde
PubChem CID10830793
Molecular FormulaC9H5ClINOS
Molecular Weight337.57 g/mol
Exact Mass336.88
IUPAC Name5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(I)c(-c2ccc(Cl)s2)[nH]1
InChIInChI=1S/C9H5ClINOS/c10-8-2-1-7(14-8)9-6(11)3-5(4-13)12-9/h1-4,12H
InChIKeySJTZODCNDZPKBP-UHFFFAOYSA-N
XLogP3.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-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

3-(5-chlorothiophen-2-yl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82115185
(E)-3-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 19973531
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
CID 115005771
5-chloro-1H-pyrrole-2,4-dicarbaldehyde
CID 14686211
2-(5-chlorothiophen-2-yl)-1H-pyridin-4-one
CID 106519910
4-(5-chlorothiophen-2-yl)-1,3-dihydroimidazol-2-one
CID 116879669
5-iodo-1H-pyrrole-2-carbaldehyde
CID 15321733
5-chlorothiophene-2-carbaldehyde;ethane
CID 142192708
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82130310
5-(5-aminothiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 102142272
2-chloro-6-iodobenzaldehyde
CID 58951891
2-(5-chlorothiophen-2-yl)-1H-indole
CID 56687027

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde (CID 10830793) is 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde is O=Cc1cc(I)c(-c2ccc(Cl)s2)[nH]1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde?
The InChIKey is SJTZODCNDZPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClINOS/c10-8-2-1-7(14-8)9-6(11)3-5(4-13)12-9/h1-4,12H.
What are the key properties of 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde?
5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde has a molecular weight of 337.57 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-4-iodo-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10830793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).