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

C11H8ClNO — CID 87584158

IUPAC4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2Cl)c[nH]1
InChIInChI=1S/C11H8ClNO/c12-11-4-2-1-3-10(11)8-5-9(7-14)13-6-8/h1-7,13H
InChIKeyHABCQZQLAJTAKZ-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.15
Rot. Bonds2

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

4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 87584158) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID87584158
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(-c2ccccc2Cl)c[nH]1
InChIInChI=1S/C11H8ClNO/c12-11-4-2-1-3-10(11)8-5-9(7-14)13-6-8/h1-7,13H
InChIKeyHABCQZQLAJTAKZ-UHFFFAOYSA-N
XLogP3.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde (CID 87584158) is 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde is O=Cc1cc(-c2ccccc2Cl)c[nH]1.
What is the InChIKey of 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is HABCQZQLAJTAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-11-4-2-1-3-10(11)8-5-9(7-14)13-6-8/h1-7,13H.
What are the key properties of 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde?
4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 205.64 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 87584158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).