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

C17H16FNO2 — CID 22122683

IUPAC1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one
SMILESCC1=C(n2ccccc2=O)c2cc(F)ccc2OC1(C)C
InChIInChI=1S/C17H16FNO2/c1-11-16(19-9-5-4-6-15(19)20)13-10-12(18)7-8-14(13)21-17(11,2)3/h4-10H,1-3H3
InChIKeyXYKCZSNRHZRPDS-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.44
Rot. Bonds1

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

1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one (PubChem CID 22122683) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one
PubChem CID22122683
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one
SMILESCC1=C(n2ccccc2=O)c2cc(F)ccc2OC1(C)C
InChIInChI=1S/C17H16FNO2/c1-11-16(19-9-5-4-6-15(19)20)13-10-12(18)7-8-14(13)21-17(11,2)3/h4-10H,1-3H3
InChIKeyXYKCZSNRHZRPDS-UHFFFAOYSA-N
XLogP3.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one?
The IUPAC name of 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one (CID 22122683) is 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one?
The canonical SMILES for 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one is CC1=C(n2ccccc2=O)c2cc(F)ccc2OC1(C)C.
What is the InChIKey of 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one?
The InChIKey is XYKCZSNRHZRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-16(19-9-5-4-6-15(19)20)13-10-12(18)7-8-14(13)21-17(11,2)3/h4-10H,1-3H3.
What are the key properties of 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one?
1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,2,3-trimethylchromen-4-yl)pyridin-2-one is sourced from PubChem (CID 22122683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).