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

C8H6ClN3O2 — CID 115027609

IUPAC5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCn1nc(-c2cccnc2Cl)oc1=O
InChIInChI=1S/C8H6ClN3O2/c1-12-8(13)14-7(11-12)5-3-2-4-10-6(5)9/h2-4H,1H3
InChIKeyQHEFDAMARJVHMK-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.09
Rot. Bonds1

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

5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 115027609) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID115027609
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCn1nc(-c2cccnc2Cl)oc1=O
InChIInChI=1S/C8H6ClN3O2/c1-12-8(13)14-7(11-12)5-3-2-4-10-6(5)9/h2-4H,1H3
InChIKeyQHEFDAMARJVHMK-UHFFFAOYSA-N
XLogP1.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 141330846
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
CID 1472067
2-chloro-3-(5-nitrofuran-2-yl)pyridine
CID 165356727
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
5-(3-chloro-4-propan-2-yloxyphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 163703791
6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
CID 141476314
2-(2-oxo-5-quinolin-5-yl-1,3,4-oxadiazol-3-yl)-N-propan-2-ylacetamide
CID 46958849
2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
CID 135396419
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
2-chloro-3-(2-fluorophenyl)pyridine
CID 46312040
5-(2-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057852
5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
CID 118029781

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one (CID 115027609) is 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one is Cn1nc(-c2cccnc2Cl)oc1=O.
What is the InChIKey of 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is QHEFDAMARJVHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-12-8(13)14-7(11-12)5-3-2-4-10-6(5)9/h2-4H,1H3.
What are the key properties of 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one?
5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 211.61 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-pyridinyl)-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 115027609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).