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

C10H8INOS — CID 10686937

IUPAC4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde
SMILESCc1ccc(-c2[nH]c(C=O)cc2I)s1
InChIInChI=1S/C10H8INOS/c1-6-2-3-9(14-6)10-8(11)4-7(5-13)12-10/h2-5,12H,1H3
InChIKeyRTCMRYVMVSJXMI-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.47
Rot. Bonds2

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

4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde (PubChem CID 10686937) has the molecular formula C10H8INOS and a molecular weight of 317.15 g/mol. Its IUPAC name is 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde
PubChem CID10686937
Molecular FormulaC10H8INOS
Molecular Weight317.15 g/mol
Exact Mass316.94
IUPAC Name4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde
SMILESCc1ccc(-c2[nH]c(C=O)cc2I)s1
InChIInChI=1S/C10H8INOS/c1-6-2-3-9(14-6)10-8(11)4-7(5-13)12-10/h2-5,12H,1H3
InChIKeyRTCMRYVMVSJXMI-UHFFFAOYSA-N
XLogP3.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.47
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
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
5-(2-Thienyl)-1-vinylpyrrole-2-carbaldehyde
CID 11564680

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde (CID 10686937) is 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde is Cc1ccc(-c2[nH]c(C=O)cc2I)s1.
What is the InChIKey of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is RTCMRYVMVSJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INOS/c1-6-2-3-9(14-6)10-8(11)4-7(5-13)12-10/h2-5,12H,1H3.
What are the key properties of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde?
4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 317.15 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10686937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).