5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one

C7H8FNO2 — CID 143248071

IUPAC5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(F)c1=O
InChIInChI=1S/C7H8FNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10)
InChIKeyNYVDHRGQFSXSPJ-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.83
Rot. Bonds1

About 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one

5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one (PubChem CID 143248071) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
PubChem CID143248071
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(F)c1=O
InChIInChI=1S/C7H8FNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10)
InChIKeyNYVDHRGQFSXSPJ-UHFFFAOYSA-N
XLogP0.83
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one (CID 143248071) is 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one is COc1c(C)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one?
The InChIKey is NYVDHRGQFSXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-4-7(11-2)6(10)5(8)3-9-4/h3H,1-2H3,(H,9,10).
What are the key properties of 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one?
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one has a molecular weight of 157.14 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 143248071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).