2-(3-bromophenyl)-1-methylpyrrole

C11H10BrN — CID 83647191

IUPAC2-(3-bromophenyl)-1-methylpyrrole
SMILESCn1cccc1-c1cccc(Br)c1
InChIInChI=1S/C11H10BrN/c1-13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2-8H,1H3
InChIKeySIXINXSIAXMCBY-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.45
Rot. Bonds1

About 2-(3-bromophenyl)-1-methylpyrrole

2-(3-bromophenyl)-1-methylpyrrole (PubChem CID 83647191) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-methylpyrrole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-methylpyrrole
PubChem CID83647191
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name2-(3-bromophenyl)-1-methylpyrrole
SMILESCn1cccc1-c1cccc(Br)c1
InChIInChI=1S/C11H10BrN/c1-13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2-8H,1H3
InChIKeySIXINXSIAXMCBY-UHFFFAOYSA-N
XLogP3.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-methylpyrrole?
The IUPAC name of 2-(3-bromophenyl)-1-methylpyrrole (CID 83647191) is 2-(3-bromophenyl)-1-methylpyrrole.
What is the SMILES notation for 2-(3-bromophenyl)-1-methylpyrrole?
The canonical SMILES for 2-(3-bromophenyl)-1-methylpyrrole is Cn1cccc1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-methylpyrrole?
The InChIKey is SIXINXSIAXMCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-13-7-3-6-11(13)9-4-2-5-10(12)8-9/h2-8H,1H3.
What are the key properties of 2-(3-bromophenyl)-1-methylpyrrole?
2-(3-bromophenyl)-1-methylpyrrole has a molecular weight of 236.11 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-methylpyrrole is sourced from PubChem (CID 83647191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).