1-(4-chlorophenyl)pyrrole-2-carbaldehyde

C11H8ClNO — CID 737212

IUPAC1-(4-chlorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
InChIKeyNNQOVJLQFYROBU-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.94
Rot. Bonds2

About 1-(4-chlorophenyl)pyrrole-2-carbaldehyde

1-(4-chlorophenyl)pyrrole-2-carbaldehyde (PubChem CID 737212) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-chlorophenyl)pyrrole-2-carbaldehyde
PubChem CID737212
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name1-(4-chlorophenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
InChIKeyNNQOVJLQFYROBU-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1H-pyrrole-2-carbaldehyde
CID 14504
1-Ethyl-2-pyrrolecarboxaldehyde
CID 579338
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
1-Pyridin-3-yl-1H-pyrrole-2-carbaldehyde
CID 3153995
1-(3-Methylbutyl)-1H-pyrrole-2-carbaldehyde
CID 20560333
1-phenyl-1H-pyrrole-2-carbaldehyde
CID 934729
N-(4-chlorophenyl)-2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetamide
CID 3842359
1-(4-Methylphenyl)-1H-pyrrole-2-carbaldehyde
CID 564322
1-(2-fluorophenyl)-1H-pyrrole-2-carbaldehyde
CID 1489915
1-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde
CID 3161845
1-(3-Chlorobenzyl)-1H-pyrrole-2-carboxamide
CID 5071699
4-Chloropyridine-2-carbaldehyde
CID 2763166

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(4-chlorophenyl)pyrrole-2-carbaldehyde (CID 737212) is 1-(4-chlorophenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(4-chlorophenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(4-chlorophenyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)pyrrole-2-carbaldehyde?
The InChIKey is NNQOVJLQFYROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H.
What are the key properties of 1-(4-chlorophenyl)pyrrole-2-carbaldehyde?
1-(4-chlorophenyl)pyrrole-2-carbaldehyde has a molecular weight of 205.64 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 737212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).