4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine

C11H5BrCl2FN — CID 84604363

IUPAC4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
SMILESFc1ccc(Br)cc1-c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H5BrCl2FN/c12-7-1-2-9(15)8(5-7)6-3-10(13)16-11(14)4-6/h1-5H
InChIKeyHEZZOMUYDAJXBJ-UHFFFAOYSA-N
MW320.98 g/mol
LogP4.96
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine

4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine (PubChem CID 84604363) has the molecular formula C11H5BrCl2FN and a molecular weight of 320.98 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
PubChem CID84604363
Molecular FormulaC11H5BrCl2FN
Molecular Weight320.98 g/mol
Exact Mass318.90
IUPAC Name4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
SMILESFc1ccc(Br)cc1-c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H5BrCl2FN/c12-7-1-2-9(15)8(5-7)6-3-10(13)16-11(14)4-6/h1-5H
InChIKeyHEZZOMUYDAJXBJ-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.98
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine (CID 84604363) is 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine is Fc1ccc(Br)cc1-c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine?
The InChIKey is HEZZOMUYDAJXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2FN/c12-7-1-2-9(15)8(5-7)6-3-10(13)16-11(14)4-6/h1-5H.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine?
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine has a molecular weight of 320.98 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine is sourced from PubChem (CID 84604363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).