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

C6H6FNO2 — CID 69019216

IUPAC2-fluoro-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(F)[nH]ccc1=O
InChIInChI=1S/C6H6FNO2/c1-10-5-4(9)2-3-8-6(5)7/h2-3H,1H3,(H,8,9)
InChIKeyPHSWJSDXCJXFTL-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.52
Rot. Bonds1

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

2-fluoro-3-methoxy-1H-pyridin-4-one (PubChem CID 69019216) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-fluoro-3-methoxy-1H-pyridin-4-one
PubChem CID69019216
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name2-fluoro-3-methoxy-1H-pyridin-4-one
SMILESCOc1c(F)[nH]ccc1=O
InChIInChI=1S/C6H6FNO2/c1-10-5-4(9)2-3-8-6(5)7/h2-3H,1H3,(H,8,9)
InChIKeyPHSWJSDXCJXFTL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-fluoro-3-methoxy-1H-pyridin-4-one (CID 69019216) is 2-fluoro-3-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-fluoro-3-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-fluoro-3-methoxy-1H-pyridin-4-one is COc1c(F)[nH]ccc1=O.
What is the InChIKey of 2-fluoro-3-methoxy-1H-pyridin-4-one?
The InChIKey is PHSWJSDXCJXFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c1-10-5-4(9)2-3-8-6(5)7/h2-3H,1H3,(H,8,9).
What are the key properties of 2-fluoro-3-methoxy-1H-pyridin-4-one?
2-fluoro-3-methoxy-1H-pyridin-4-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 2-fluoro-3-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 69019216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).