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

C6H6FNO2 — CID 130840624

IUPAC5-fluoro-3-methoxy-1H-pyridin-2-one
SMILESCOc1cc(F)c[nH]c1=O
InChIInChI=1S/C6H6FNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)
InChIKeyIBTFQXFTZIALOH-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.52
Rot. Bonds1

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

5-fluoro-3-methoxy-1H-pyridin-2-one (PubChem CID 130840624) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-methoxy-1H-pyridin-2-one
PubChem CID130840624
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name5-fluoro-3-methoxy-1H-pyridin-2-one
SMILESCOc1cc(F)c[nH]c1=O
InChIInChI=1S/C6H6FNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9)
InChIKeyIBTFQXFTZIALOH-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-methoxy-1H-pyridin-2-one (CID 130840624) is 5-fluoro-3-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-methoxy-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-methoxy-1H-pyridin-2-one is COc1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-methoxy-1H-pyridin-2-one?
The InChIKey is IBTFQXFTZIALOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c1-10-5-2-4(7)3-8-6(5)9/h2-3H,1H3,(H,8,9).
What are the key properties of 5-fluoro-3-methoxy-1H-pyridin-2-one?
5-fluoro-3-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 5-fluoro-3-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 130840624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).