5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile

C12H9BrN2 — CID 116828202

IUPAC5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(-c2ccccc2Br)cc1C#N
InChIInChI=1S/C12H9BrN2/c1-8-9(7-14)6-12(15-8)10-4-2-3-5-11(10)13/h2-6,15H,1H3
InChIKeyVYJMSXMMRWZHJU-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.62
Rot. Bonds1

About 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile

5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile (PubChem CID 116828202) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
PubChem CID116828202
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(-c2ccccc2Br)cc1C#N
InChIInChI=1S/C12H9BrN2/c1-8-9(7-14)6-12(15-8)10-4-2-3-5-11(10)13/h2-6,15H,1H3
InChIKeyVYJMSXMMRWZHJU-UHFFFAOYSA-N
XLogP3.62
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-bromophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63898865
5-(5-bromo-2-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828179
2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrole-3-carbonitrile
CID 116828196
5-(1-benzothiophen-3-yl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828195
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 59930384
5-(2-methoxy-4-propan-2-ylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828140
2-(2-bromophenyl)-5,7-dimethyl-1H-indole
CID 131886941
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
2-(6-bromo-1H-indol-2-yl)benzonitrile
CID 155670182
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828156
2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82307079

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile (CID 116828202) is 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile is Cc1[nH]c(-c2ccccc2Br)cc1C#N.
What is the InChIKey of 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
The InChIKey is VYJMSXMMRWZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-8-9(7-14)6-12(15-8)10-4-2-3-5-11(10)13/h2-6,15H,1H3.
What are the key properties of 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile?
5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile has a molecular weight of 261.12 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 116828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).