5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one

C9H8ClN3O2 — CID 90010562

IUPAC5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCc1cc(-c2nn(C)c(=O)o2)cc(Cl)n1
InChIInChI=1S/C9H8ClN3O2/c1-5-3-6(4-7(10)11-5)8-12-13(2)9(14)15-8/h3-4H,1-2H3
InChIKeyRWUDGUOPUYRFNP-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.40
Rot. Bonds1

About 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one

5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 90010562) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID90010562
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCc1cc(-c2nn(C)c(=O)o2)cc(Cl)n1
InChIInChI=1S/C9H8ClN3O2/c1-5-3-6(4-7(10)11-5)8-12-13(2)9(14)15-8/h3-4H,1-2H3
InChIKeyRWUDGUOPUYRFNP-UHFFFAOYSA-N
XLogP1.40
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(2-Chloro-6-methylpyridin-4-yl)[1,3,4]oxadiazole-2-thiol
CID 129708784
(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate
CID 2781831
2-Chloro-4-(2-ethoxyethoxymethyl)-6-methylpyridine
CID 23380565
2-Chloro-4-(ethoxymethyl)-6-methylpyridine
CID 23380566
2-Chloro-4-(methoxymethyl)-6-methylpyridine
CID 23380567
5-(6-chloro-2-methylpyridin-3-yl)-1,3,4-oxadiazol-2(3H)-one
CID 59526324
(6-Chloro-2-methyl-3-pyridinyl)methyl acetate
CID 87555403
(6-Chloro-2-methyl-3-pyridinyl)methyl carbamate
CID 87556011
Methyl 2-(2-chloro-6-methyl-4-pyridinyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 88958837
5-(2-Chloro-3-ethyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 90010364
5-(3-Chloro-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 90010572
5-(2-Chloro-5-ethylpyridin-4-yl)-3-methyl-1,3,4-oxadiazol-2(3H)-one
CID 90010639

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one (CID 90010562) is 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one is Cc1cc(-c2nn(C)c(=O)o2)cc(Cl)n1.
What is the InChIKey of 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is RWUDGUOPUYRFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-5-3-6(4-7(10)11-5)8-12-13(2)9(14)15-8/h3-4H,1-2H3.
What are the key properties of 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 225.64 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methyl-4-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 90010562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).