4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde

C11H7Cl2NO — CID 96591689

IUPAC4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)c(Cl)c2)c[nH]1
InChIInChI=1S/C11H7Cl2NO/c12-10-2-1-7(4-11(10)13)8-3-9(6-15)14-5-8/h1-6,14H
InChIKeyHIJQYJBFWPNFLD-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.80
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde

4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 96591689) has the molecular formula C11H7Cl2NO and a molecular weight of 240.09 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID96591689
Molecular FormulaC11H7Cl2NO
Molecular Weight240.09 g/mol
Exact Mass238.99
IUPAC Name4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)c(Cl)c2)c[nH]1
InChIInChI=1S/C11H7Cl2NO/c12-10-2-1-7(4-11(10)13)8-3-9(6-15)14-5-8/h1-6,14H
InChIKeyHIJQYJBFWPNFLD-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenyl)-1H-pyrrole-2-carbaldehyde
CID 117001505
4-(2-chlorophenyl)-1H-pyrrole-2-carbaldehyde
CID 87584158
2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
CID 153387709
2-[5-(3,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133092843
4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carbaldehyde
CID 129259939
5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde
CID 133092831
4-(2,3-dimethylphenyl)-1H-pyrrole-2-carbaldehyde
CID 117001506
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156
4-(3,4-dichlorophenyl)phenol
CID 6452909
2-(3,4-dichlorophenyl)-4,6-dimethylbenzaldehyde
CID 13186066
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 81492192
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde (CID 96591689) is 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde is O=Cc1cc(-c2ccc(Cl)c(Cl)c2)c[nH]1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is HIJQYJBFWPNFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO/c12-10-2-1-7(4-11(10)13)8-3-9(6-15)14-5-8/h1-6,14H.
What are the key properties of 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde?
4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 240.09 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 96591689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).