5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile

C11H5BrCl2N2 — CID 15010126

IUPAC5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)[nH]c(Br)c1Cl
InChIInChI=1S/C11H5BrCl2N2/c12-11-9(14)8(5-15)10(16-11)6-1-3-7(13)4-2-6/h1-4,16H
InChIKeyTYHALVOKRRQFFL-UHFFFAOYSA-N
MW315.99 g/mol
LogP4.62
Rot. Bonds1

About 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile

5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 15010126) has the molecular formula C11H5BrCl2N2 and a molecular weight of 315.99 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
PubChem CID15010126
Molecular FormulaC11H5BrCl2N2
Molecular Weight315.99 g/mol
Exact Mass313.90
IUPAC Name5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)[nH]c(Br)c1Cl
InChIInChI=1S/C11H5BrCl2N2/c12-11-9(14)8(5-15)10(16-11)6-1-3-7(13)4-2-6/h1-4,16H
InChIKeyTYHALVOKRRQFFL-UHFFFAOYSA-N
XLogP4.62
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.99
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile (CID 15010126) is 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)[nH]c(Br)c1Cl.
What is the InChIKey of 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is TYHALVOKRRQFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2N2/c12-11-9(14)8(5-15)10(16-11)6-1-3-7(13)4-2-6/h1-4,16H.
What are the key properties of 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile?
5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 315.99 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).