6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one

C9H8ClN3O2 — CID 100645678

IUPAC6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCc1noc(Cn2c(Cl)cccc2=O)n1
InChIInChI=1S/C9H8ClN3O2/c1-6-11-8(15-12-6)5-13-7(10)3-2-4-9(13)14/h2-4H,5H2,1H3
InChIKeyFSDSSFAVQQPLRP-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.24
Rot. Bonds2

About 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one

6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (PubChem CID 100645678) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
PubChem CID100645678
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
SMILESCc1noc(Cn2c(Cl)cccc2=O)n1
InChIInChI=1S/C9H8ClN3O2/c1-6-11-8(15-12-6)5-13-7(10)3-2-4-9(13)14/h2-4H,5H2,1H3
InChIKeyFSDSSFAVQQPLRP-UHFFFAOYSA-N
XLogP1.24
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.24
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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 18147318
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-one
CID 115659257
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 118969967
N-(2,3-dimethylphenyl)-2-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 16956541
5-[[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 62532068
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624641
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carbaldehyde
CID 66409452
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]-N-phenylacetamide
CID 53141456
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784604

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one (CID 100645678) is 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is Cc1noc(Cn2c(Cl)cccc2=O)n1.
What is the InChIKey of 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
The InChIKey is FSDSSFAVQQPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-6-11-8(15-12-6)5-13-7(10)3-2-4-9(13)14/h2-4H,5H2,1H3.
What are the key properties of 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one?
6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one has a molecular weight of 225.64 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 100645678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).