5-fluoro-2-methyl-1H-pyridin-4-one

C6H6FNO — CID 127032713

IUPAC5-fluoro-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(F)c[nH]1
InChIInChI=1S/C6H6FNO/c1-4-2-6(9)5(7)3-8-4/h2-3H,1H3,(H,8,9)
InChIKeyGHKMRRNROIZXLT-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.82
Rot. Bonds

About 5-fluoro-2-methyl-1H-pyridin-4-one

5-fluoro-2-methyl-1H-pyridin-4-one (PubChem CID 127032713) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-1H-pyridin-4-one
PubChem CID127032713
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name5-fluoro-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(F)c[nH]1
InChIInChI=1S/C6H6FNO/c1-4-2-6(9)5(7)3-8-4/h2-3H,1H3,(H,8,9)
InChIKeyGHKMRRNROIZXLT-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 5-fluoro-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-fluoro-2-methyl-1H-pyridin-4-one (CID 127032713) is 5-fluoro-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-fluoro-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-fluoro-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(F)c[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-1H-pyridin-4-one?
The InChIKey is GHKMRRNROIZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-4-2-6(9)5(7)3-8-4/h2-3H,1H3,(H,8,9).
What are the key properties of 5-fluoro-2-methyl-1H-pyridin-4-one?
5-fluoro-2-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 5-fluoro-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 127032713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).