2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile

C13H11Br2N3 — CID 63399685

IUPAC2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccc(Br)cc2Br)c1C
InChIInChI=1S/C13H11Br2N3/c1-7-8(2)18(13(17)10(7)6-16)12-4-3-9(14)5-11(12)15/h3-5H,17H2,1-2H3
InChIKeyAMPIQKBYEINMBQ-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.07
Rot. Bonds1

About 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile

2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile (PubChem CID 63399685) has the molecular formula C13H11Br2N3 and a molecular weight of 369.06 g/mol. Its IUPAC name is 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile
PubChem CID63399685
Molecular FormulaC13H11Br2N3
Molecular Weight369.06 g/mol
Exact Mass366.93
IUPAC Name2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(-c2ccc(Br)cc2Br)c1C
InChIInChI=1S/C13H11Br2N3/c1-7-8(2)18(13(17)10(7)6-16)12-4-3-9(14)5-11(12)15/h3-5H,17H2,1-2H3
InChIKeyAMPIQKBYEINMBQ-UHFFFAOYSA-N
XLogP4.07
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile (CID 63399685) is 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(-c2ccc(Br)cc2Br)c1C.
What is the InChIKey of 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
The InChIKey is AMPIQKBYEINMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3/c1-7-8(2)18(13(17)10(7)6-16)12-4-3-9(14)5-11(12)15/h3-5H,17H2,1-2H3.
What are the key properties of 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile?
2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile has a molecular weight of 369.06 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dibromophenyl)-4,5-dimethylpyrrole-3-carbonitrile is sourced from PubChem (CID 63399685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).