4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile

C12H7Br2ClN2O — CID 18967214

IUPAC4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile
SMILESCOn1c(Br)c(Br)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7Br2ClN2O/c1-18-17-11(7-2-4-8(15)5-3-7)9(6-16)10(13)12(17)14/h2-5H,1H3
InChIKeyNNJNIFKFGYLDNK-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.26
Rot. Bonds2

About 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile

4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile (PubChem CID 18967214) has the molecular formula C12H7Br2ClN2O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile.

Molecular Properties

Compound Name4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile
PubChem CID18967214
Molecular FormulaC12H7Br2ClN2O
Molecular Weight390.46 g/mol
Exact Mass387.86
IUPAC Name4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile
SMILESCOn1c(Br)c(Br)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7Br2ClN2O/c1-18-17-11(7-2-4-8(15)5-3-7)9(6-16)10(13)12(17)14/h2-5H,1H3
InChIKeyNNJNIFKFGYLDNK-UHFFFAOYSA-N
XLogP4.26
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorfenapyr
CID 91778
Tralopyril
CID 183559
4-Bromo-2-(4-chlorophenyl)-1-((2-fluoroethoxy)-methyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 129822782
4-Bromo-2-(4-chlorophenyl)-1-((methoxymethoxy)methyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 129822825
4-Bromo-1-((chloromethoxy)methyl)-2-(4-chloro phenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 129822830
4-Bromo-1-((2-bromoethoxy)methyl)-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 129822742
2-(4-Chlorophenyl)-1-hydroxy-4-methyl-5-(methylidene-lambda3-bromanyl)pyrrole-3-carbonitrile
CID 163563814
4,5-dibromo-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 183557
4-Bromo-2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 183558
4-Bromo-1-(bromomethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 11004725
4-Bromo-2-(4-chlorophenyl)-1-(methoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 18779849
4-Bromo-1-(n-butoxymethyl)-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
CID 18959672

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile?
The IUPAC name of 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile (CID 18967214) is 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile.
What is the SMILES notation for 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile?
The canonical SMILES for 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile is COn1c(Br)c(Br)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile?
The InChIKey is NNJNIFKFGYLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClN2O/c1-18-17-11(7-2-4-8(15)5-3-7)9(6-16)10(13)12(17)14/h2-5H,1H3.
What are the key properties of 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile?
4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile has a molecular weight of 390.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(4-chlorophenyl)-1-methoxypyrrole-3-carbonitrile is sourced from PubChem (CID 18967214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).