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

C11H12FNO2 — CID 163370391

IUPAC3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2ccc(F)c(=O)[nH]2)CC1
InChIInChI=1S/C11H12FNO2/c12-9-5-6-10(13-11(9)15)7-1-3-8(14)4-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyUUIHXNXHRFXEPY-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.74
Rot. Bonds1

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

3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one (PubChem CID 163370391) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
PubChem CID163370391
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2ccc(F)c(=O)[nH]2)CC1
InChIInChI=1S/C11H12FNO2/c12-9-5-6-10(13-11(9)15)7-1-3-8(14)4-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyUUIHXNXHRFXEPY-UHFFFAOYSA-N
XLogP1.74
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-7,8-dihydroquinoline-2,5(1H,6H)-dione
CID 10397336
3-fluoro-4-methoxy-6-(4-oxocyclohexyl)-1H-pyridin-2-one
CID 163370192
6-(4-oxocyclohexyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 163370238
6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 163370283
6-(4-oxocyclohexyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 163370291
6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 163370298
3,5-difluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one
CID 163370327
4-(difluoromethyl)-6-(4-oxocyclohexyl)-1H-pyridin-2-one
CID 163370340
6-(4-oxocyclohexyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 163370379
2-[4-(5-fluoro-6-oxo-1H-pyridin-2-yl)cyclohex-3-en-1-yl]acetaldehyde
CID 169178227
4-Acetamido-6-s-butyl-1,2-benzoquinone
CID 129690258
(7R)-7-(trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 97036572

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one (CID 163370391) is 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one is O=C1CCC(c2ccc(F)c(=O)[nH]2)CC1.
What is the InChIKey of 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
The InChIKey is UUIHXNXHRFXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-5-6-10(13-11(9)15)7-1-3-8(14)4-2-7/h5-7H,1-4H2,(H,13,15).
What are the key properties of 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one?
3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(4-oxocyclohexyl)-1H-pyridin-2-one is sourced from PubChem (CID 163370391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).