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

C6H6FNO2 — CID 91568331

IUPAC3-fluoro-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc[nH]c(=O)c1F
InChIInChI=1S/C6H6FNO2/c1-10-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyHTPOVTJDJFZNRX-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.52
Rot. Bonds1

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

3-fluoro-4-methoxy-1H-pyridin-2-one (PubChem CID 91568331) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1H-pyridin-2-one
PubChem CID91568331
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name3-fluoro-4-methoxy-1H-pyridin-2-one
SMILESCOc1cc[nH]c(=O)c1F
InChIInChI=1S/C6H6FNO2/c1-10-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
InChIKeyHTPOVTJDJFZNRX-UHFFFAOYSA-N
XLogP0.52
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxypyridin-2(1H)-one
CID 817715
5-Methoxypyridin-2-ol
CID 12279833
3-Fluoro-5-methoxypyridin-2-ol
CID 91539998
Methoxy-methylpyridinone
CID 124087879
2-Hydroxy-4-methoxy-3-(trifluoromethyl)pyridine
CID 118704355
5-(fluoromethoxy)-1H-pyridin-2-one
CID 141503117
4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyridin-2-one
CID 145437205
4-(2,2-difluoropropoxy)-1H-pyridin-2-one
CID 149530046
4-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 153651082
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-1H-pyridin-2-one
CID 162558728
3,5-difluoro-4-methoxy-1H-pyridin-2-one
CID 175264337
4-fluoro-5-methoxy-1H-pyridin-2-one
CID 118827742

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-4-methoxy-1H-pyridin-2-one (CID 91568331) is 3-fluoro-4-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-4-methoxy-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-4-methoxy-1H-pyridin-2-one is COc1cc[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-4-methoxy-1H-pyridin-2-one?
The InChIKey is HTPOVTJDJFZNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c1-10-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9).
What are the key properties of 3-fluoro-4-methoxy-1H-pyridin-2-one?
3-fluoro-4-methoxy-1H-pyridin-2-one has a molecular weight of 143.12 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 91568331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).