4-pyridin-3-yloxadiazole

C7H5N3O — CID 18516068

IUPAC4-pyridin-3-yloxadiazole
SMILESc1cncc(-c2conn2)c1
InChIInChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-5-11-10-9-7/h1-5H
InChIKeyQRTVENQSWKHWPM-UHFFFAOYSA-N
MW147.14 g/mol
LogP1.13
Rot. Bonds1

About 4-pyridin-3-yloxadiazole

4-pyridin-3-yloxadiazole (PubChem CID 18516068) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 4-pyridin-3-yloxadiazole.

Molecular Properties

Compound Name4-pyridin-3-yloxadiazole
PubChem CID18516068
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name4-pyridin-3-yloxadiazole
SMILESc1cncc(-c2conn2)c1
InChIInChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-5-11-10-9-7/h1-5H
InChIKeyQRTVENQSWKHWPM-UHFFFAOYSA-N
XLogP1.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yloxadiazole?
The IUPAC name of 4-pyridin-3-yloxadiazole (CID 18516068) is 4-pyridin-3-yloxadiazole.
What is the SMILES notation for 4-pyridin-3-yloxadiazole?
The canonical SMILES for 4-pyridin-3-yloxadiazole is c1cncc(-c2conn2)c1.
What is the InChIKey of 4-pyridin-3-yloxadiazole?
The InChIKey is QRTVENQSWKHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-2-6(4-8-3-1)7-5-11-10-9-7/h1-5H.
What are the key properties of 4-pyridin-3-yloxadiazole?
4-pyridin-3-yloxadiazole has a molecular weight of 147.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yloxadiazole is sourced from PubChem (CID 18516068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).