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

C9H8ClN3O — CID 170993654

IUPAC5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1cnc(Cl)c(-c2nc(C)no2)c1
InChIInChI=1S/C9H8ClN3O/c1-5-3-7(8(10)11-4-5)9-12-6(2)13-14-9/h3-4H,1-2H3
InChIKeyJKUHXRBWODURCH-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.40
Rot. Bonds1

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

5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 170993654) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
PubChem CID170993654
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1cnc(Cl)c(-c2nc(C)no2)c1
InChIInChI=1S/C9H8ClN3O/c1-5-3-7(8(10)11-4-5)9-12-6(2)13-14-9/h3-4H,1-2H3
InChIKeyJKUHXRBWODURCH-UHFFFAOYSA-N
XLogP2.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.40
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

2-chloro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-4-amine
CID 170305579
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 135319537
5-(2-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057852
3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 131158237
5-[2-chloro-6-(3-methylbutyl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 117062289
5-(3,7-dichloroquinolin-8-yl)-3-methyl-1,2,4-oxadiazole
CID 15595591
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 63021546
bromomethane;2-chloro-3-fluoro-5-methylpyridine
CID 143545285
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole (CID 170993654) is 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole is Cc1cnc(Cl)c(-c2nc(C)no2)c1.
What is the InChIKey of 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is JKUHXRBWODURCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5-3-7(8(10)11-4-5)9-12-6(2)13-14-9/h3-4H,1-2H3.
What are the key properties of 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole?
5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 209.64 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methyl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 170993654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).