3-(4-bromophenyl)-2-fluoropyridine

C11H7BrFN — CID 66862736

IUPAC3-(4-bromophenyl)-2-fluoropyridine
SMILESFc1ncccc1-c1ccc(Br)cc1
InChIInChI=1S/C11H7BrFN/c12-9-5-3-8(4-6-9)10-2-1-7-14-11(10)13/h1-7H
InChIKeyBWYCUDDOUFHVLS-UHFFFAOYSA-N
MW252.09 g/mol
LogP3.65
Rot. Bonds1

About 3-(4-bromophenyl)-2-fluoropyridine

3-(4-bromophenyl)-2-fluoropyridine (PubChem CID 66862736) has the molecular formula C11H7BrFN and a molecular weight of 252.09 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-fluoropyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-fluoropyridine
PubChem CID66862736
Molecular FormulaC11H7BrFN
Molecular Weight252.09 g/mol
Exact Mass250.97
IUPAC Name3-(4-bromophenyl)-2-fluoropyridine
SMILESFc1ncccc1-c1ccc(Br)cc1
InChIInChI=1S/C11H7BrFN/c12-9-5-3-8(4-6-9)10-2-1-7-14-11(10)13/h1-7H
InChIKeyBWYCUDDOUFHVLS-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-fluoropyridine?
The IUPAC name of 3-(4-bromophenyl)-2-fluoropyridine (CID 66862736) is 3-(4-bromophenyl)-2-fluoropyridine.
What is the SMILES notation for 3-(4-bromophenyl)-2-fluoropyridine?
The canonical SMILES for 3-(4-bromophenyl)-2-fluoropyridine is Fc1ncccc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-fluoropyridine?
The InChIKey is BWYCUDDOUFHVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN/c12-9-5-3-8(4-6-9)10-2-1-7-14-11(10)13/h1-7H.
What are the key properties of 3-(4-bromophenyl)-2-fluoropyridine?
3-(4-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 3-(4-bromophenyl)-2-fluoropyridine is sourced from PubChem (CID 66862736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).