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

C16H14FNO2 — CID 22122678

IUPAC1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2O1
InChIInChI=1S/C16H14FNO2/c1-16(2)10-13(18-8-4-3-5-15(18)19)12-9-11(17)6-7-14(12)20-16/h3-10H,1-2H3
InChIKeyQDHSSGCLBKIVTH-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.05
Rot. Bonds1

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

1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one (PubChem CID 22122678) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one
PubChem CID22122678
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2O1
InChIInChI=1S/C16H14FNO2/c1-16(2)10-13(18-8-4-3-5-15(18)19)12-9-11(17)6-7-14(12)20-16/h3-10H,1-2H3
InChIKeyQDHSSGCLBKIVTH-UHFFFAOYSA-N
XLogP3.05
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.05
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-dimethylchromen-4-yl)pyridin-2-one?
The IUPAC name of 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one (CID 22122678) is 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one?
The canonical SMILES for 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(F)ccc2O1.
What is the InChIKey of 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one?
The InChIKey is QDHSSGCLBKIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-16(2)10-13(18-8-4-3-5-15(18)19)12-9-11(17)6-7-14(12)20-16/h3-10H,1-2H3.
What are the key properties of 1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one?
1-(6-fluoro-2,2-dimethylchromen-4-yl)pyridin-2-one has a molecular weight of 271.29 g/mol, XLogP of 3.05, 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-dimethylchromen-4-yl)pyridin-2-one is sourced from PubChem (CID 22122678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).