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

C7H2BrF3N2O — CID 130116192

IUPAC2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc2nc(Br)oc2n1
InChIInChI=1S/C7H2BrF3N2O/c8-6-12-3-1-2-4(7(9,10)11)13-5(3)14-6/h1-2H
InChIKeyWCOSKWBBAGTGPB-UHFFFAOYSA-N
MW267.00 g/mol
LogP3.00
Rot. Bonds

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

2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 130116192) has the molecular formula C7H2BrF3N2O and a molecular weight of 267.00 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID130116192
Molecular FormulaC7H2BrF3N2O
Molecular Weight267.00 g/mol
Exact Mass265.93
IUPAC Name2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc2nc(Br)oc2n1
InChIInChI=1S/C7H2BrF3N2O/c8-6-12-3-1-2-4(7(9,10)11)13-5(3)14-6/h1-2H
InChIKeyWCOSKWBBAGTGPB-UHFFFAOYSA-N
XLogP3.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.00
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 130116192) is 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1ccc2nc(Br)oc2n1.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WCOSKWBBAGTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2O/c8-6-12-3-1-2-4(7(9,10)11)13-5(3)14-6/h1-2H.
What are the key properties of 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 267.00 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 130116192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).