2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole

C10H7Cl2N3O — CID 54100008

IUPAC2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
SMILESClc1cc(-c2nnc(C3CC3)o2)cnc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-7-3-6(4-13-8(7)12)10-15-14-9(16-10)5-1-2-5/h3-5H,1-2H2
InChIKeyMZWWSXMVSXGFSF-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.32
Rot. Bonds2

About 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole

2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 54100008) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID54100008
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
SMILESClc1cc(-c2nnc(C3CC3)o2)cnc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-7-3-6(4-13-8(7)12)10-15-14-9(16-10)5-1-2-5/h3-5H,1-2H2
InChIKeyMZWWSXMVSXGFSF-UHFFFAOYSA-N
XLogP3.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.32
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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Related Compounds

CID 740480
CID 740480
CID 740478
CID 740478
CID 98903
CID 98903
CID 155551683
CID 155551683
CID 4526510
CID 4526510
CID 67057241
CID 67057241
CID 2726887
CID 2726887
CID 16767832
CID 16767832
CID 51137353
CID 51137353
CID 121487935
CID 121487935
CID 53017509
CID 53017509
CID 129833185
CID 129833185

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole (CID 54100008) is 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole is Clc1cc(-c2nnc(C3CC3)o2)cnc1Cl.
What is the InChIKey of 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is MZWWSXMVSXGFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-3-6(4-13-8(7)12)10-15-14-9(16-10)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole?
2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 256.09 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 54100008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).