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

C7H8FNO2 — CID 131099653

IUPAC2-ethoxy-3-fluoro-1H-pyridin-4-one
SMILESCCOc1[nH]ccc(=O)c1F
InChIInChI=1S/C7H8FNO2/c1-2-11-7-6(8)5(10)3-4-9-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyRCWMKEMQYMFOTA-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.91
Rot. Bonds2

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

2-ethoxy-3-fluoro-1H-pyridin-4-one (PubChem CID 131099653) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-ethoxy-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-ethoxy-3-fluoro-1H-pyridin-4-one
PubChem CID131099653
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-ethoxy-3-fluoro-1H-pyridin-4-one
SMILESCCOc1[nH]ccc(=O)c1F
InChIInChI=1S/C7H8FNO2/c1-2-11-7-6(8)5(10)3-4-9-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyRCWMKEMQYMFOTA-UHFFFAOYSA-N
XLogP0.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-ethoxy-3-fluoro-1H-pyridin-4-one (CID 131099653) is 2-ethoxy-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-ethoxy-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-ethoxy-3-fluoro-1H-pyridin-4-one is CCOc1[nH]ccc(=O)c1F.
What is the InChIKey of 2-ethoxy-3-fluoro-1H-pyridin-4-one?
The InChIKey is RCWMKEMQYMFOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c1-2-11-7-6(8)5(10)3-4-9-7/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 2-ethoxy-3-fluoro-1H-pyridin-4-one?
2-ethoxy-3-fluoro-1H-pyridin-4-one has a molecular weight of 157.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 131099653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).