4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile

C11H5BrCl2N2 — CID 139754387

IUPAC4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)C=C(Br)C(Cl)=N1
InChIInChI=1S/C11H5BrCl2N2/c12-9-5-11(6-15,16-10(9)14)7-1-3-8(13)4-2-7/h1-5H
InChIKeyJXRAAGIEFHBZGO-UHFFFAOYSA-N
MW315.99 g/mol
LogP3.99
Rot. Bonds1

About 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile

4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile (PubChem CID 139754387) has the molecular formula C11H5BrCl2N2 and a molecular weight of 315.99 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile
PubChem CID139754387
Molecular FormulaC11H5BrCl2N2
Molecular Weight315.99 g/mol
Exact Mass313.90
IUPAC Name4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile
SMILESN#CC1(c2ccc(Cl)cc2)C=C(Br)C(Cl)=N1
InChIInChI=1S/C11H5BrCl2N2/c12-9-5-11(6-15,16-10(9)14)7-1-3-8(13)4-2-7/h1-5H
InChIKeyJXRAAGIEFHBZGO-UHFFFAOYSA-N
XLogP3.99
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile?
The IUPAC name of 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile (CID 139754387) is 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile?
The canonical SMILES for 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile is N#CC1(c2ccc(Cl)cc2)C=C(Br)C(Cl)=N1.
What is the InChIKey of 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile?
The InChIKey is JXRAAGIEFHBZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2N2/c12-9-5-11(6-15,16-10(9)14)7-1-3-8(13)4-2-7/h1-5H.
What are the key properties of 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile?
4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile has a molecular weight of 315.99 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2-(4-chlorophenyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 139754387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).