1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one

C15H13FN2O2 — CID 19816895

IUPAC1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one
SMILESCC1(C)N=C(n2ccccc2=O)c2cc(F)ccc2O1
InChIInChI=1S/C15H13FN2O2/c1-15(2)17-14(18-8-4-3-5-13(18)19)11-9-10(16)6-7-12(11)20-15/h3-9H,1-2H3
InChIKeyWZYVYZVTNAYWIO-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.41
Rot. Bonds

About 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one

1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one (PubChem CID 19816895) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one
PubChem CID19816895
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one
SMILESCC1(C)N=C(n2ccccc2=O)c2cc(F)ccc2O1
InChIInChI=1S/C15H13FN2O2/c1-15(2)17-14(18-8-4-3-5-13(18)19)11-9-10(16)6-7-12(11)20-15/h3-9H,1-2H3
InChIKeyWZYVYZVTNAYWIO-UHFFFAOYSA-N
XLogP2.41
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one?
The IUPAC name of 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one (CID 19816895) is 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one?
The canonical SMILES for 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one is CC1(C)N=C(n2ccccc2=O)c2cc(F)ccc2O1.
What is the InChIKey of 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one?
The InChIKey is WZYVYZVTNAYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-15(2)17-14(18-8-4-3-5-13(18)19)11-9-10(16)6-7-12(11)20-15/h3-9H,1-2H3.
What are the key properties of 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one?
1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one is sourced from PubChem (CID 19816895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).