2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole

C7H3Cl2N3O — CID 171373539

IUPAC2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
SMILESClc1cc(Cl)c(-c2nnco2)cn1
InChIInChI=1S/C7H3Cl2N3O/c8-5-1-6(9)10-2-4(5)7-12-11-3-13-7/h1-3H
InChIKeySGLQXNRITCDCCC-UHFFFAOYSA-N
MW216.03 g/mol
LogP2.44
Rot. Bonds1

About 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole

2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 171373539) has the molecular formula C7H3Cl2N3O and a molecular weight of 216.03 g/mol. Its IUPAC name is 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID171373539
Molecular FormulaC7H3Cl2N3O
Molecular Weight216.03 g/mol
Exact Mass214.97
IUPAC Name2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
SMILESClc1cc(Cl)c(-c2nnco2)cn1
InChIInChI=1S/C7H3Cl2N3O/c8-5-1-6(9)10-2-4(5)7-12-11-3-13-7/h1-3H
InChIKeySGLQXNRITCDCCC-UHFFFAOYSA-N
XLogP2.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole (CID 171373539) is 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole is Clc1cc(Cl)c(-c2nnco2)cn1.
What is the InChIKey of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is SGLQXNRITCDCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O/c8-5-1-6(9)10-2-4(5)7-12-11-3-13-7/h1-3H.
What are the key properties of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 216.03 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171373539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).