3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one

C12H14FNO3 — CID 163370192

IUPAC3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESCOc1cc(C2CCC(=O)CC2)[nH]c(=O)c1F
InChIInChI=1S/C12H14FNO3/c1-17-10-6-9(14-12(16)11(10)13)7-2-4-8(15)5-3-7/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyQXCJRAPYBLJIHJ-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.75
Rot. Bonds2

About 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one

3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one (PubChem CID 163370192) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one
PubChem CID163370192
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESCOc1cc(C2CCC(=O)CC2)[nH]c(=O)c1F
InChIInChI=1S/C12H14FNO3/c1-17-10-6-9(14-12(16)11(10)13)7-2-4-8(15)5-3-7/h6-7H,2-5H2,1H3,(H,14,16)
InChIKeyQXCJRAPYBLJIHJ-UHFFFAOYSA-N
XLogP1.75
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one (CID 163370192) is 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one is COc1cc(C2CCC(=O)CC2)[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The InChIKey is QXCJRAPYBLJIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-17-10-6-9(14-12(16)11(10)13)7-2-4-8(15)5-3-7/h6-7H,2-5H2,1H3,(H,14,16).
What are the key properties of 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one is sourced from PubChem (CID 163370192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).