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

C18H10ClF2NO2 — CID 102169246

IUPAC5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde
SMILESO=Cc1c(-c2ccccc2)c(C=O)n(-c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C18H10ClF2NO2/c19-18-13(9-23)17(11-4-2-1-3-5-11)16(10-24)22(18)12-6-7-14(20)15(21)8-12/h1-10H
InChIKeyIMEDAIQGLHFAEI-UHFFFAOYSA-N
MW345.73 g/mol
LogP4.70
Rot. Bonds4

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

5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde (PubChem CID 102169246) has the molecular formula C18H10ClF2NO2 and a molecular weight of 345.73 g/mol. Its IUPAC name is 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde.

Molecular Properties

Compound Name5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde
PubChem CID102169246
Molecular FormulaC18H10ClF2NO2
Molecular Weight345.73 g/mol
Exact Mass345.04
IUPAC Name5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde
SMILESO=Cc1c(-c2ccccc2)c(C=O)n(-c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C18H10ClF2NO2/c19-18-13(9-23)17(11-4-2-1-3-5-11)16(10-24)22(18)12-6-7-14(20)15(21)8-12/h1-10H
InChIKeyIMEDAIQGLHFAEI-UHFFFAOYSA-N
XLogP4.70
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde?
The IUPAC name of 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde (CID 102169246) is 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde.
What is the SMILES notation for 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde?
The canonical SMILES for 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde is O=Cc1c(-c2ccccc2)c(C=O)n(-c2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde?
The InChIKey is IMEDAIQGLHFAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2NO2/c19-18-13(9-23)17(11-4-2-1-3-5-11)16(10-24)22(18)12-6-7-14(20)15(21)8-12/h1-10H.
What are the key properties of 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde?
5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde has a molecular weight of 345.73 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,4-difluorophenyl)-3-phenylpyrrole-2,4-dicarbaldehyde is sourced from PubChem (CID 102169246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).