3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole

C9H6N4O — CID 163936836

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
SMILESc1cnc2[nH]cc(-c3ncon3)c2c1
InChIInChI=1S/C9H6N4O/c1-2-6-7(9-12-5-14-13-9)4-11-8(6)10-3-1/h1-5H,(H,10,11)
InChIKeyRNNNZNACQXRGNS-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.61
Rot. Bonds1

About 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole

3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole (PubChem CID 163936836) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
PubChem CID163936836
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
SMILESc1cnc2[nH]cc(-c3ncon3)c2c1
InChIInChI=1S/C9H6N4O/c1-2-6-7(9-12-5-14-13-9)4-11-8(6)10-3-1/h1-5H,(H,10,11)
InChIKeyRNNNZNACQXRGNS-UHFFFAOYSA-N
XLogP1.61
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole (CID 163936836) is 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole is c1cnc2[nH]cc(-c3ncon3)c2c1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole?
The InChIKey is RNNNZNACQXRGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c1-2-6-7(9-12-5-14-13-9)4-11-8(6)10-3-1/h1-5H,(H,10,11).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole?
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole has a molecular weight of 186.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 163936836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).