2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole

C8H6ClN3O — CID 139228906

IUPAC2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(Cl)c2)o1
InChIInChI=1S/C8H6ClN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyMBFYAPZXZODCAJ-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.09
Rot. Bonds1

About 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole

2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 139228906) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole
PubChem CID139228906
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(Cl)c2)o1
InChIInChI=1S/C8H6ClN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKeyMBFYAPZXZODCAJ-UHFFFAOYSA-N
XLogP2.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole (CID 139228906) is 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cncc(Cl)c2)o1.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is MBFYAPZXZODCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3.
What are the key properties of 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole?
2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 195.61 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-pyridinyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 139228906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).