5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde

C10H8ClNOS — CID 118416902

IUPAC5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cl)n1Cc1cccs1
InChIInChI=1S/C10H8ClNOS/c11-10-4-3-8(7-13)12(10)6-9-2-1-5-14-9/h1-5,7H,6H2
InChIKeyCKUWZBFLDVYZPD-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde

5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde (PubChem CID 118416902) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
PubChem CID118416902
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cl)n1Cc1cccs1
InChIInChI=1S/C10H8ClNOS/c11-10-4-3-8(7-13)12(10)6-9-2-1-5-14-9/h1-5,7H,6H2
InChIKeyCKUWZBFLDVYZPD-UHFFFAOYSA-N
XLogP3.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
6-chloro-5-propyl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 113404475
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
diethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3,4-dicarboxylate
CID 170871938
1-(thiophen-2-ylmethyl)indole-4-carbaldehyde
CID 18973351
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141200
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
CID 43661018
ethyl 2-bromo-5-formyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate
CID 59815038
5-(thiophen-2-ylmethyl)-1,3,5-triazinan-2-one
CID 23830026
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
thiophene-2-carbaldehyde;hydrobromide
CID 20535828

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
The IUPAC name of 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde (CID 118416902) is 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde is O=Cc1ccc(Cl)n1Cc1cccs1.
What is the InChIKey of 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
The InChIKey is CKUWZBFLDVYZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-10-4-3-8(7-13)12(10)6-9-2-1-5-14-9/h1-5,7H,6H2.
What are the key properties of 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde?
5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde has a molecular weight of 225.70 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 118416902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).