6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine

C12H6BrFN2O — CID 82337529

IUPAC6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cccc(-c2nc3ncc(Br)cc3o2)c1
InChIInChI=1S/C12H6BrFN2O/c13-8-5-10-11(15-6-8)16-12(17-10)7-2-1-3-9(14)4-7/h1-6H
InChIKeyNCUBUDFOQTULTB-UHFFFAOYSA-N
MW293.09 g/mol
LogP3.79
Rot. Bonds1

About 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine

6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 82337529) has the molecular formula C12H6BrFN2O and a molecular weight of 293.09 g/mol. Its IUPAC name is 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID82337529
Molecular FormulaC12H6BrFN2O
Molecular Weight293.09 g/mol
Exact Mass291.96
IUPAC Name6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cccc(-c2nc3ncc(Br)cc3o2)c1
InChIInChI=1S/C12H6BrFN2O/c13-8-5-10-11(15-6-8)16-12(17-10)7-2-1-3-9(14)4-7/h1-6H
InChIKeyNCUBUDFOQTULTB-UHFFFAOYSA-N
XLogP3.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 82337529) is 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is Fc1cccc(-c2nc3ncc(Br)cc3o2)c1.
What is the InChIKey of 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is NCUBUDFOQTULTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O/c13-8-5-10-11(15-6-8)16-12(17-10)7-2-1-3-9(14)4-7/h1-6H.
What are the key properties of 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 293.09 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 82337529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).