4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one

C9H7F2N3O2 — CID 146309641

IUPAC4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nnc(C(F)F)o2)cc1=O
InChIInChI=1S/C9H7F2N3O2/c1-14-3-2-5(4-6(14)15)8-12-13-9(16-8)7(10)11/h2-4,7H,1H3
InChIKeyKCIGDEFEAYNEAW-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.37
Rot. Bonds2

About 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one

4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one (PubChem CID 146309641) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
PubChem CID146309641
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2nnc(C(F)F)o2)cc1=O
InChIInChI=1S/C9H7F2N3O2/c1-14-3-2-5(4-6(14)15)8-12-13-9(16-8)7(10)11/h2-4,7H,1H3
InChIKeyKCIGDEFEAYNEAW-UHFFFAOYSA-N
XLogP1.37
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one (CID 146309641) is 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one is Cn1ccc(-c2nnc(C(F)F)o2)cc1=O.
What is the InChIKey of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
The InChIKey is KCIGDEFEAYNEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c1-14-3-2-5(4-6(14)15)8-12-13-9(16-8)7(10)11/h2-4,7H,1H3.
What are the key properties of 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one?
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one has a molecular weight of 227.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146309641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).