5-fluoro-3,4-dihydro-1H-pyridin-2-one

C5H6FNO — CID 142845138

IUPAC5-fluoro-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CCC(F)=CN1
InChIInChI=1S/C5H6FNO/c6-4-1-2-5(8)7-3-4/h3H,1-2H2,(H,7,8)
InChIKeyKOFNZNQVNKIUNA-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.71
Rot. Bonds

About 5-fluoro-3,4-dihydro-1H-pyridin-2-one

5-fluoro-3,4-dihydro-1H-pyridin-2-one (PubChem CID 142845138) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 5-fluoro-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3,4-dihydro-1H-pyridin-2-one
PubChem CID142845138
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name5-fluoro-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1CCC(F)=CN1
InChIInChI=1S/C5H6FNO/c6-4-1-2-5(8)7-3-4/h3H,1-2H2,(H,7,8)
InChIKeyKOFNZNQVNKIUNA-UHFFFAOYSA-N
XLogP0.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2(1H)-Pyridinone, 3,4-dihydro-
CID 10898648
5-Bromo-3,4-dihydro-2-pyridone
CID 129796206
3-fluoro-3,4-dihydro-1H-pyridin-2-one
CID 54128847
5-fluoro-4-methylidene-1H-pyridin-2-one
CID 58076215
3-amino-5-fluoro-3,4-dihydro-1H-pyridin-2-one
CID 137457807
4-amino-5-fluoro-3,4-dihydro-1H-pyridin-2-one
CID 143858460
N-ethenylpent-4-enamide
CID 88740595
3,4-dihydro-1H-pyridin-2-one;hydrochloride
CID 122625209
3,4-dihydro-1H-pyridin-2-one;ethane
CID 141934867
azane;3,4-dihydro-1H-pyridin-2-one
CID 174866151

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3,4-dihydro-1H-pyridin-2-one (CID 142845138) is 5-fluoro-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3,4-dihydro-1H-pyridin-2-one is O=C1CCC(F)=CN1.
What is the InChIKey of 5-fluoro-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is KOFNZNQVNKIUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c6-4-1-2-5(8)7-3-4/h3H,1-2H2,(H,7,8).
What are the key properties of 5-fluoro-3,4-dihydro-1H-pyridin-2-one?
5-fluoro-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 115.11 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 142845138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).