4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde

C9H6INOS — CID 10662174

IUPAC4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(I)c(-c2cccs2)[nH]1
InChIInChI=1S/C9H6INOS/c10-7-4-6(5-12)11-9(7)8-2-1-3-13-8/h1-5,11H
InChIKeyPSLCPSWSFAXXDC-UHFFFAOYSA-N
MW303.12 g/mol
LogP3.16
Rot. Bonds2

About 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde

4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde (PubChem CID 10662174) has the molecular formula C9H6INOS and a molecular weight of 303.12 g/mol. Its IUPAC name is 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
PubChem CID10662174
Molecular FormulaC9H6INOS
Molecular Weight303.12 g/mol
Exact Mass302.92
IUPAC Name4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(I)c(-c2cccs2)[nH]1
InChIInChI=1S/C9H6INOS/c10-7-4-6(5-12)11-9(7)8-2-1-3-13-8/h1-5,11H
InChIKeyPSLCPSWSFAXXDC-UHFFFAOYSA-N
XLogP3.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 53.16
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'}

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Related Compounds

5-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 1201026
6-(Thiophen-2-yl)pyridine-2-carbaldehyde
CID 10583807
5-[5-(5-formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde
CID 374810
2,2,2-Trifluoro-1-(5-(2-thienyl)pyrrol-2-yl)ethan-1-one
CID 3127251
1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone
CID 713791
1H-Pyrrole-2-carboxaldehyde, 4-(2-thienyl)-
CID 12080141
1-Propyl-5-thiophen-2-ylpyrrole-2-carbaldehyde
CID 102176812
2-(Thiophene-2-carbonyl)pyrrole
CID 19914029
5-(1H-pyrrol-2-yl)thiophene-2-carbaldehyde
CID 138974427
5-[[5-(2,3,4,5,6-pentafluorobenzoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carbaldehyde
CID 58795710
5-[[5-(4-fluorobenzoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carbaldehyde
CID 58795719
6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
CID 88977611

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde (CID 10662174) is 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde is O=Cc1cc(I)c(-c2cccs2)[nH]1.
What is the InChIKey of 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The InChIKey is PSLCPSWSFAXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INOS/c10-7-4-6(5-12)11-9(7)8-2-1-3-13-8/h1-5,11H.
What are the key properties of 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde has a molecular weight of 303.12 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10662174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).