3-(bromomethyl)-1-phenylpyrrole

C11H10BrN — CID 139944269

IUPAC3-(bromomethyl)-1-phenylpyrrole
SMILESBrCc1ccn(-c2ccccc2)c1
InChIInChI=1S/C11H10BrN/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyILCPXJLVXQHPBD-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.37
Rot. Bonds2

About 3-(bromomethyl)-1-phenylpyrrole

3-(bromomethyl)-1-phenylpyrrole (PubChem CID 139944269) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-(bromomethyl)-1-phenylpyrrole.

Molecular Properties

Compound Name3-(bromomethyl)-1-phenylpyrrole
PubChem CID139944269
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name3-(bromomethyl)-1-phenylpyrrole
SMILESBrCc1ccn(-c2ccccc2)c1
InChIInChI=1S/C11H10BrN/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyILCPXJLVXQHPBD-UHFFFAOYSA-N
XLogP3.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-phenylpyrrole?
The IUPAC name of 3-(bromomethyl)-1-phenylpyrrole (CID 139944269) is 3-(bromomethyl)-1-phenylpyrrole.
What is the SMILES notation for 3-(bromomethyl)-1-phenylpyrrole?
The canonical SMILES for 3-(bromomethyl)-1-phenylpyrrole is BrCc1ccn(-c2ccccc2)c1.
What is the InChIKey of 3-(bromomethyl)-1-phenylpyrrole?
The InChIKey is ILCPXJLVXQHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-8-10-6-7-13(9-10)11-4-2-1-3-5-11/h1-7,9H,8H2.
What are the key properties of 3-(bromomethyl)-1-phenylpyrrole?
3-(bromomethyl)-1-phenylpyrrole has a molecular weight of 236.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-phenylpyrrole is sourced from PubChem (CID 139944269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).