4-(2-bromophenyl)-2-fluoropyridine

C11H7BrFN — CID 168810872

IUPAC4-(2-bromophenyl)-2-fluoropyridine
SMILESFc1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C11H7BrFN/c12-10-4-2-1-3-9(10)8-5-6-14-11(13)7-8/h1-7H
InChIKeyQSIOYCGUUDZUFT-UHFFFAOYSA-N
MW252.09 g/mol
LogP3.65
Rot. Bonds1

About 4-(2-bromophenyl)-2-fluoropyridine

4-(2-bromophenyl)-2-fluoropyridine (PubChem CID 168810872) has the molecular formula C11H7BrFN and a molecular weight of 252.09 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-fluoropyridine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-fluoropyridine
PubChem CID168810872
Molecular FormulaC11H7BrFN
Molecular Weight252.09 g/mol
Exact Mass250.97
IUPAC Name4-(2-bromophenyl)-2-fluoropyridine
SMILESFc1cc(-c2ccccc2Br)ccn1
InChIInChI=1S/C11H7BrFN/c12-10-4-2-1-3-9(10)8-5-6-14-11(13)7-8/h1-7H
InChIKeyQSIOYCGUUDZUFT-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(2-bromophenyl)-2-fluoropyridine 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 4-(2-bromophenyl)-2-fluoropyridine?
The IUPAC name of 4-(2-bromophenyl)-2-fluoropyridine (CID 168810872) is 4-(2-bromophenyl)-2-fluoropyridine.
What is the SMILES notation for 4-(2-bromophenyl)-2-fluoropyridine?
The canonical SMILES for 4-(2-bromophenyl)-2-fluoropyridine is Fc1cc(-c2ccccc2Br)ccn1.
What is the InChIKey of 4-(2-bromophenyl)-2-fluoropyridine?
The InChIKey is QSIOYCGUUDZUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN/c12-10-4-2-1-3-9(10)8-5-6-14-11(13)7-8/h1-7H.
What are the key properties of 4-(2-bromophenyl)-2-fluoropyridine?
4-(2-bromophenyl)-2-fluoropyridine has a molecular weight of 252.09 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-fluoropyridine is sourced from PubChem (CID 168810872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).