3-Fluoro-5-methyl-1,2-dihydropyridin-2-one

C6H6FNO — CID 12552277

IUPAC3-fluoro-5-methyl-1H-pyridin-2-one
SMILESCC1=CNC(=O)C(=C1)F
InChIInChI=1S/C6H6FNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKeyDGEJXOUYBQECRG-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.40
Rot. Bonds

About 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one

3-Fluoro-5-methyl-1,2-dihydropyridin-2-one (PubChem CID 12552277) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluoro-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-Fluoro-5-methyl-1,2-dihydropyridin-2-one
PubChem CID12552277
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-fluoro-5-methyl-1H-pyridin-2-one
SMILESCC1=CNC(=O)C(=C1)F
InChIInChI=1S/C6H6FNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKeyDGEJXOUYBQECRG-UHFFFAOYSA-N
XLogP0.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one?
The IUPAC name of 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one (CID 12552277) is 3-fluoro-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one?
The canonical SMILES for 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one is CC1=CNC(=O)C(=C1)F.
What is the InChIKey of 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one?
The InChIKey is DGEJXOUYBQECRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9).
What are the key properties of 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one?
3-Fluoro-5-methyl-1,2-dihydropyridin-2-one has a molecular weight of 127.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Fluoro-5-methyl-1,2-dihydropyridin-2-one is sourced from PubChem (CID 12552277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).