4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile

C11H4Br2Cl2N2 — CID 151619551

IUPAC4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2Cl)C=C(Br)C(Br)=N1
InChIInChI=1S/C11H4Br2Cl2N2/c12-8-4-11(5-16,17-10(8)13)7-2-1-6(14)3-9(7)15/h1-4H
InChIKeyQOFDZLKLIUWHNG-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.80
Rot. Bonds1

About 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile

4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile (PubChem CID 151619551) has the molecular formula C11H4Br2Cl2N2 and a molecular weight of 394.88 g/mol. Its IUPAC name is 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile
PubChem CID151619551
Molecular FormulaC11H4Br2Cl2N2
Molecular Weight394.88 g/mol
Exact Mass391.81
IUPAC Name4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2Cl)C=C(Br)C(Br)=N1
InChIInChI=1S/C11H4Br2Cl2N2/c12-8-4-11(5-16,17-10(8)13)7-2-1-6(14)3-9(7)15/h1-4H
InChIKeyQOFDZLKLIUWHNG-UHFFFAOYSA-N
XLogP4.80
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile?
The IUPAC name of 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile (CID 151619551) is 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile is N#CC1(c2ccc(Cl)cc2Cl)C=C(Br)C(Br)=N1.
What is the InChIKey of 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile?
The InChIKey is QOFDZLKLIUWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2Cl2N2/c12-8-4-11(5-16,17-10(8)13)7-2-1-6(14)3-9(7)15/h1-4H.
What are the key properties of 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile?
4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile has a molecular weight of 394.88 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(2,4-dichlorophenyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 151619551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).