1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde

C11H7Cl2NO — CID 4715192

IUPAC1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H7Cl2NO/c12-8-3-4-10(13)11(6-8)14-5-1-2-9(14)7-15/h1-7H
InChIKeyOPBNBGQZXPPUPX-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.60
Rot. Bonds2

About 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde

1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde (PubChem CID 4715192) has the molecular formula C11H7Cl2NO and a molecular weight of 240.09 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde
PubChem CID4715192
Molecular FormulaC11H7Cl2NO
Molecular Weight240.09 g/mol
Exact Mass238.99
IUPAC Name1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H7Cl2NO/c12-8-3-4-10(13)11(6-8)14-5-1-2-9(14)7-15/h1-7H
InChIKeyOPBNBGQZXPPUPX-UHFFFAOYSA-N
XLogP3.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde (CID 4715192) is 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde?
The InChIKey is OPBNBGQZXPPUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO/c12-8-3-4-10(13)11(6-8)14-5-1-2-9(14)7-15/h1-7H.
What are the key properties of 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde?
1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde has a molecular weight of 240.09 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 4715192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).