4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one

C10H11FN2O — CID 112586653

IUPAC4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
SMILESCCC1(c2ccc(F)cn2)CC(=O)N1
InChIInChI=1S/C10H11FN2O/c1-2-10(5-9(14)13-10)8-4-3-7(11)6-12-8/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyJNIFXXRAEBAFSR-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.35
Rot. Bonds2

About 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one

4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one (PubChem CID 112586653) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one.

Molecular Properties

Compound Name4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
PubChem CID112586653
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
SMILESCCC1(c2ccc(F)cn2)CC(=O)N1
InChIInChI=1S/C10H11FN2O/c1-2-10(5-9(14)13-10)8-4-3-7(11)6-12-8/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyJNIFXXRAEBAFSR-UHFFFAOYSA-N
XLogP1.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 112586788
4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 112586789
4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
CID 83128324
2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
CID 112586926
2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
CID 136925050
5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
CID 136925049
2-ethyl-1-(5-fluoro-2-pyridinyl)cyclopropan-1-amine
CID 79718780
ethyl 3-ethyl-3-(5-fluoro-2-pyridinyl)oxirane-2-carboxylate
CID 112586733
3-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-2,5-dione
CID 112586644
methyl 1-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 130655929
[1-(5-fluoro-2-pyridinyl)cyclopentyl]methanamine
CID 130544640
1-ethyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
CID 83129047

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one?
The IUPAC name of 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one (CID 112586653) is 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one.
What is the SMILES notation for 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one?
The canonical SMILES for 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one is CCC1(c2ccc(F)cn2)CC(=O)N1.
What is the InChIKey of 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one?
The InChIKey is JNIFXXRAEBAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-2-10(5-9(14)13-10)8-4-3-7(11)6-12-8/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one?
4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one is sourced from PubChem (CID 112586653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).