3-fluoro-5-methyl-1H-pyridin-4-one

C6H6FNO — CID 44754846

IUPAC3-fluoro-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(F)c1=O
InChIInChI=1S/C6H6FNO/c1-4-2-8-3-5(7)6(4)9/h2-3H,1H3,(H,8,9)
InChIKeyVWGIWASEPLFGRH-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.82
Rot. Bonds

About 3-fluoro-5-methyl-1H-pyridin-4-one

3-fluoro-5-methyl-1H-pyridin-4-one (PubChem CID 44754846) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluoro-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-methyl-1H-pyridin-4-one
PubChem CID44754846
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-fluoro-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(F)c1=O
InChIInChI=1S/C6H6FNO/c1-4-2-8-3-5(7)6(4)9/h2-3H,1H3,(H,8,9)
InChIKeyVWGIWASEPLFGRH-UHFFFAOYSA-N
XLogP0.82
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-methyl-1H-pyridin-4-one (CID 44754846) is 3-fluoro-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-methyl-1H-pyridin-4-one is Cc1c[nH]cc(F)c1=O.
What is the InChIKey of 3-fluoro-5-methyl-1H-pyridin-4-one?
The InChIKey is VWGIWASEPLFGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-4-2-8-3-5(7)6(4)9/h2-3H,1H3,(H,8,9).
What are the key properties of 3-fluoro-5-methyl-1H-pyridin-4-one?
3-fluoro-5-methyl-1H-pyridin-4-one has a molecular weight of 127.12 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 44754846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).