3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole

C7H4ClN3O — CID 15180172

IUPAC3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole
SMILESClc1nonc1-c1cccnc1
InChIInChI=1S/C7H4ClN3O/c8-7-6(10-12-11-7)5-2-1-3-9-4-5/h1-4H
InChIKeyKCHCATPDSQWTCN-UHFFFAOYSA-N
MW181.58 g/mol
LogP1.78
Rot. Bonds1

About 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole

3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole (PubChem CID 15180172) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole
PubChem CID15180172
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole
SMILESClc1nonc1-c1cccnc1
InChIInChI=1S/C7H4ClN3O/c8-7-6(10-12-11-7)5-2-1-3-9-4-5/h1-4H
InChIKeyKCHCATPDSQWTCN-UHFFFAOYSA-N
XLogP1.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole?
The IUPAC name of 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole (CID 15180172) is 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole.
What is the SMILES notation for 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole?
The canonical SMILES for 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole is Clc1nonc1-c1cccnc1.
What is the InChIKey of 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole?
The InChIKey is KCHCATPDSQWTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-7-6(10-12-11-7)5-2-1-3-9-4-5/h1-4H.
What are the key properties of 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole?
3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole has a molecular weight of 181.58 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-3-yl-1,2,5-oxadiazole is sourced from PubChem (CID 15180172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).