5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C6H3BrN2O2 — CID 71710986

IUPAC5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Br)ccc2o1
InChIInChI=1S/C6H3BrN2O2/c7-4-2-1-3-5(8-4)9-6(10)11-3/h1-2H,(H,8,9,10)
InChIKeyXTXLTXLTOKGVKG-UHFFFAOYSA-N
MW215.01 g/mol
LogP1.28
Rot. Bonds

About 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 71710986) has the molecular formula C6H3BrN2O2 and a molecular weight of 215.01 g/mol. Its IUPAC name is 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID71710986
Molecular FormulaC6H3BrN2O2
Molecular Weight215.01 g/mol
Exact Mass213.94
IUPAC Name5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Br)ccc2o1
InChIInChI=1S/C6H3BrN2O2/c7-4-2-1-3-5(8-4)9-6(10)11-3/h1-2H,(H,8,9,10)
InChIKeyXTXLTXLTOKGVKG-UHFFFAOYSA-N
XLogP1.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 84653939
CID 67884406
CID 67884406
5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
CID 122697153
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
3H-[1,3]oxazolo[4,5-d]pyrimidin-6-ium-2-one
CID 123991954
6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 118654391
6-bromo-2,2-dimethyl-1H-pyrido[2,3-b][1,4]oxazin-3-one
CID 87295149
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxamide
CID 154842710
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947
5-[bromo(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 116961970

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 71710986) is 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(Br)ccc2o1.
What is the InChIKey of 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is XTXLTXLTOKGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O2/c7-4-2-1-3-5(8-4)9-6(10)11-3/h1-2H,(H,8,9,10).
What are the key properties of 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 215.01 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).