5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole

C12H12BrN — CID 141116599

IUPAC5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole
SMILESCc1cc(-c2ccc(Br)cc2)[nH]c1C
InChIInChI=1S/C12H12BrN/c1-8-7-12(14-9(8)2)10-3-5-11(13)6-4-10/h3-7,14H,1-2H3
InChIKeyYBDOFOGPZCFLRC-UHFFFAOYSA-N
MW250.14 g/mol
LogP4.06
Rot. Bonds1

About 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole

5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole (PubChem CID 141116599) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole
PubChem CID141116599
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole
SMILESCc1cc(-c2ccc(Br)cc2)[nH]c1C
InChIInChI=1S/C12H12BrN/c1-8-7-12(14-9(8)2)10-3-5-11(13)6-4-10/h3-7,14H,1-2H3
InChIKeyYBDOFOGPZCFLRC-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole?
The IUPAC name of 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole (CID 141116599) is 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole.
What is the SMILES notation for 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole?
The canonical SMILES for 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole is Cc1cc(-c2ccc(Br)cc2)[nH]c1C.
What is the InChIKey of 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole?
The InChIKey is YBDOFOGPZCFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-8-7-12(14-9(8)2)10-3-5-11(13)6-4-10/h3-7,14H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole?
5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole has a molecular weight of 250.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2,3-dimethyl-1H-pyrrole is sourced from PubChem (CID 141116599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).