5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one

C9H5BrN4O2 — CID 137332715

IUPAC5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2c[nH]c3ncc(Br)cc23)o1
InChIInChI=1S/C9H5BrN4O2/c10-4-1-5-6(3-12-7(5)11-2-4)8-13-14-9(15)16-8/h1-3H,(H,11,12)(H,14,15)
InChIKeyRIWLJJYBHGOGHJ-UHFFFAOYSA-N
MW281.07 g/mol
LogP1.67
Rot. Bonds1

About 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one

5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 137332715) has the molecular formula C9H5BrN4O2 and a molecular weight of 281.07 g/mol. Its IUPAC name is 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one
PubChem CID137332715
Molecular FormulaC9H5BrN4O2
Molecular Weight281.07 g/mol
Exact Mass279.96
IUPAC Name5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2c[nH]c3ncc(Br)cc23)o1
InChIInChI=1S/C9H5BrN4O2/c10-4-1-5-6(3-12-7(5)11-2-4)8-13-14-9(15)16-8/h1-3H,(H,11,12)(H,14,15)
InChIKeyRIWLJJYBHGOGHJ-UHFFFAOYSA-N
XLogP1.67
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one (CID 137332715) is 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2c[nH]c3ncc(Br)cc23)o1.
What is the InChIKey of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is RIWLJJYBHGOGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4O2/c10-4-1-5-6(3-12-7(5)11-2-4)8-13-14-9(15)16-8/h1-3H,(H,11,12)(H,14,15).
What are the key properties of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one?
5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 281.07 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 137332715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).