2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile

C17H12BrN3 — CID 14449992

IUPAC2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C17H12BrN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2
InChIKeyOHEVGDOJQYSKEW-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.36
Rot. Bonds2

About 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile

2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile (PubChem CID 14449992) has the molecular formula C17H12BrN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile
PubChem CID14449992
Molecular FormulaC17H12BrN3
Molecular Weight338.21 g/mol
Exact Mass337.02
IUPAC Name2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C17H12BrN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2
InChIKeyOHEVGDOJQYSKEW-UHFFFAOYSA-N
XLogP4.36
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile (CID 14449992) is 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile is N#Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile?
The InChIKey is OHEVGDOJQYSKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3/c18-14-6-8-15(9-7-14)21-16(10-13(11-19)17(21)20)12-4-2-1-3-5-12/h1-10H,20H2.
What are the key properties of 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile?
2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile has a molecular weight of 338.21 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)-5-phenylpyrrole-3-carbonitrile is sourced from PubChem (CID 14449992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).