3-(3-bromo-5-fluorophenyl)pyridine

C11H7BrFN — CID 19889429

IUPAC3-(3-bromo-5-fluorophenyl)pyridine
SMILESFc1cc(Br)cc(-c2cccnc2)c1
InChIInChI=1S/C11H7BrFN/c12-10-4-9(5-11(13)6-10)8-2-1-3-14-7-8/h1-7H
InChIKeySPHOTPMZRIREAY-UHFFFAOYSA-N
MW252.09 g/mol
LogP3.65
Rot. Bonds1

About 3-(3-bromo-5-fluorophenyl)pyridine

3-(3-bromo-5-fluorophenyl)pyridine (PubChem CID 19889429) has the molecular formula C11H7BrFN and a molecular weight of 252.09 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)pyridine
PubChem CID19889429
Molecular FormulaC11H7BrFN
Molecular Weight252.09 g/mol
Exact Mass250.97
IUPAC Name3-(3-bromo-5-fluorophenyl)pyridine
SMILESFc1cc(Br)cc(-c2cccnc2)c1
InChIInChI=1S/C11H7BrFN/c12-10-4-9(5-11(13)6-10)8-2-1-3-14-7-8/h1-7H
InChIKeySPHOTPMZRIREAY-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)pyridine?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)pyridine (CID 19889429) is 3-(3-bromo-5-fluorophenyl)pyridine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)pyridine?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)pyridine is Fc1cc(Br)cc(-c2cccnc2)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)pyridine?
The InChIKey is SPHOTPMZRIREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN/c12-10-4-9(5-11(13)6-10)8-2-1-3-14-7-8/h1-7H.
What are the key properties of 3-(3-bromo-5-fluorophenyl)pyridine?
3-(3-bromo-5-fluorophenyl)pyridine 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-(3-bromo-5-fluorophenyl)pyridine is sourced from PubChem (CID 19889429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).