1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile

C11H8BrN3 — CID 114649923

IUPAC1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1cc(Br)ccc1N
InChIInChI=1S/C11H8BrN3/c12-8-3-4-10(14)11(6-8)15-5-1-2-9(15)7-13/h1-6H,14H2
InChIKeyQIYZOGDPUGEXFZ-UHFFFAOYSA-N
MW262.11 g/mol
LogP2.69
Rot. Bonds1

About 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile

1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile (PubChem CID 114649923) has the molecular formula C11H8BrN3 and a molecular weight of 262.11 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile
PubChem CID114649923
Molecular FormulaC11H8BrN3
Molecular Weight262.11 g/mol
Exact Mass260.99
IUPAC Name1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1cc(Br)ccc1N
InChIInChI=1S/C11H8BrN3/c12-8-3-4-10(14)11(6-8)15-5-1-2-9(15)7-13/h1-6H,14H2
InChIKeyQIYZOGDPUGEXFZ-UHFFFAOYSA-N
XLogP2.69
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-cyanopyrrol-1-yl)-N-ethylbenzenesulfonamide
CID 114649918
1-(4-amino-2-chlorophenyl)pyrrole-2-carbonitrile
CID 114649933
1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
CID 114652110
3-amino-4-(2-cyanopyrrol-1-yl)-N,N-dimethylbenzenesulfonamide
CID 114649938
1-(2-chloro-4-cyanophenyl)pyrrole-2-carbonitrile
CID 114650817
1-(2-cyano-4-methylphenyl)pyrrole-2-carbonitrile
CID 107928037
1-(3-amino-2-pyridinyl)pyrrole-2-carbonitrile
CID 114649836
4-bromo-2-(2-methylimidazol-1-yl)aniline
CID 65342749
1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile
CID 114649862
2-aminobenzonitrile;2-amino-5-bromobenzonitrile
CID 159268277
1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
CID 95564348
1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile
CID 114653466

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile (CID 114649923) is 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile?
The InChIKey is QIYZOGDPUGEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3/c12-8-3-4-10(14)11(6-8)15-5-1-2-9(15)7-13/h1-6H,14H2.
What are the key properties of 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile?
1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile has a molecular weight of 262.11 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114649923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).