5-fluoro-3H-pyridin-2-one

C5H4FNO — CID 91171270

IUPAC5-fluoro-3H-pyridin-2-one
SMILESO=C1CC=C(F)C=N1
InChIInChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1,3H,2H2
InChIKeyBDQHBSNAUHDLNF-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.84
Rot. Bonds

About 5-fluoro-3H-pyridin-2-one

5-fluoro-3H-pyridin-2-one (PubChem CID 91171270) has the molecular formula C5H4FNO and a molecular weight of 113.09 g/mol. Its IUPAC name is 5-fluoro-3H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3H-pyridin-2-one
PubChem CID91171270
Molecular FormulaC5H4FNO
Molecular Weight113.09 g/mol
Exact Mass113.03
IUPAC Name5-fluoro-3H-pyridin-2-one
SMILESO=C1CC=C(F)C=N1
InChIInChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1,3H,2H2
InChIKeyBDQHBSNAUHDLNF-UHFFFAOYSA-N
XLogP0.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-iodo-3H-pyridin-2-one
CID 91480799
2-Aza-cyclohexa-2,4-dienone
CID 12489850
5-(trifluoromethyl)-3H-pyridin-2-one
CID 56995478
4-fluoro-3H-pyridin-2-one
CID 57263631
6-fluoro-3H-pyridin-2-one
CID 57310672
3-(trifluoromethyl)-3H-pyridin-2-one
CID 77520260
5-bromo-3-fluoro-3H-pyridin-2-one
CID 71303682
5-Fluoro-3-methylidenepyridin-2-one
CID 72664331
3,5-difluoro-3H-pyridin-2-one
CID 73174402
5-fluoro-3-iodo-3H-pyridin-2-one
CID 75210758
(3-fluoro-2-oxo-3H-pyridin-5-yl)boronic acid
CID 76528941
5-chloro-3-fluoro-3H-pyridin-2-one
CID 77520041

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3H-pyridin-2-one?
The IUPAC name of 5-fluoro-3H-pyridin-2-one (CID 91171270) is 5-fluoro-3H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3H-pyridin-2-one is O=C1CC=C(F)C=N1.
What is the InChIKey of 5-fluoro-3H-pyridin-2-one?
The InChIKey is BDQHBSNAUHDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO/c6-4-1-2-5(8)7-3-4/h1,3H,2H2.
What are the key properties of 5-fluoro-3H-pyridin-2-one?
5-fluoro-3H-pyridin-2-one has a molecular weight of 113.09 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3H-pyridin-2-one is sourced from PubChem (CID 91171270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).