5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole

C9H11BrFN — CID 139319460

IUPAC5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole
SMILESC=CC(F)CCC1C=NC(Br)=C1
InChIInChI=1S/C9H11BrFN/c1-2-8(11)4-3-7-5-9(10)12-6-7/h2,5-8H,1,3-4H2
InChIKeyDWRRZZHPKBZGCF-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.23
Rot. Bonds4

About 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole

5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole (PubChem CID 139319460) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole.

Molecular Properties

Compound Name5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole
PubChem CID139319460
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole
SMILESC=CC(F)CCC1C=NC(Br)=C1
InChIInChI=1S/C9H11BrFN/c1-2-8(11)4-3-7-5-9(10)12-6-7/h2,5-8H,1,3-4H2
InChIKeyDWRRZZHPKBZGCF-UHFFFAOYSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole?
The IUPAC name of 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole (CID 139319460) is 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole.
What is the SMILES notation for 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole?
The canonical SMILES for 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole is C=CC(F)CCC1C=NC(Br)=C1.
What is the InChIKey of 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole?
The InChIKey is DWRRZZHPKBZGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-2-8(11)4-3-7-5-9(10)12-6-7/h2,5-8H,1,3-4H2.
What are the key properties of 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole?
5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole has a molecular weight of 232.10 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole is sourced from PubChem (CID 139319460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).