1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde

C18H11BrClNO2 — CID 102169245

IUPAC1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde
SMILESO=Cc1c(-c2ccccc2)c(C=O)n(-c2ccc(Br)cc2)c1Cl
InChIInChI=1S/C18H11BrClNO2/c19-13-6-8-14(9-7-13)21-16(11-23)17(15(10-22)18(21)20)12-4-2-1-3-5-12/h1-11H
InChIKeyZHRXAQHIIYMOOK-UHFFFAOYSA-N
MW388.65 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde

1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde (PubChem CID 102169245) has the molecular formula C18H11BrClNO2 and a molecular weight of 388.65 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde
PubChem CID102169245
Molecular FormulaC18H11BrClNO2
Molecular Weight388.65 g/mol
Exact Mass386.97
IUPAC Name1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde
SMILESO=Cc1c(-c2ccccc2)c(C=O)n(-c2ccc(Br)cc2)c1Cl
InChIInChI=1S/C18H11BrClNO2/c19-13-6-8-14(9-7-13)21-16(11-23)17(15(10-22)18(21)20)12-4-2-1-3-5-12/h1-11H
InChIKeyZHRXAQHIIYMOOK-UHFFFAOYSA-N
XLogP5.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.65
LogP ≤ 55.19
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-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3-carbaldehyde
CID 4772525
4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 164684853
4-bromo-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 4763749
1,3,5-tris(4-bromophenyl)-1,3,5-triazinane-2,4,6-trione
CID 10746029
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
5-(2,6-dichlorophenyl)-2,4-diphenylpyrazole-3-carbaldehyde
CID 45258841
ethyl 5-formyl-1,2,4-triphenylpyrrole-3-carboxylate
CID 102185335
5-bromo-1,3-dichloro-2-phenylbenzene
CID 54302815
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103
2-(4-bromophenyl)-5-chloro-6-phenylbenzotriazole
CID 155734117
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
CID 160714288

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde?
The IUPAC name of 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde (CID 102169245) is 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde.
What is the SMILES notation for 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde?
The canonical SMILES for 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde is O=Cc1c(-c2ccccc2)c(C=O)n(-c2ccc(Br)cc2)c1Cl.
What is the InChIKey of 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde?
The InChIKey is ZHRXAQHIIYMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClNO2/c19-13-6-8-14(9-7-13)21-16(11-23)17(15(10-22)18(21)20)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde?
1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde has a molecular weight of 388.65 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-chloro-3-phenylpyrrole-2,4-dicarbaldehyde is sourced from PubChem (CID 102169245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).