1-ethyl-2-fluoro-3-methoxypyridin-4-one

C8H10FNO2 — CID 89163948

IUPAC1-ethyl-2-fluoro-3-methoxypyridin-4-one
SMILESCCn1ccc(=O)c(OC)c1F
InChIInChI=1S/C8H10FNO2/c1-3-10-5-4-6(11)7(12-2)8(10)9/h4-5H,3H2,1-2H3
InChIKeyDLAAFQQDQHTREX-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.02
Rot. Bonds2

About 1-ethyl-2-fluoro-3-methoxypyridin-4-one

1-ethyl-2-fluoro-3-methoxypyridin-4-one (PubChem CID 89163948) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-3-methoxypyridin-4-one.

Molecular Properties

Compound Name1-ethyl-2-fluoro-3-methoxypyridin-4-one
PubChem CID89163948
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name1-ethyl-2-fluoro-3-methoxypyridin-4-one
SMILESCCn1ccc(=O)c(OC)c1F
InChIInChI=1S/C8H10FNO2/c1-3-10-5-4-6(11)7(12-2)8(10)9/h4-5H,3H2,1-2H3
InChIKeyDLAAFQQDQHTREX-UHFFFAOYSA-N
XLogP1.02
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-ethyl-2-fluoro-3-methoxypyridin-4-one?
The IUPAC name of 1-ethyl-2-fluoro-3-methoxypyridin-4-one (CID 89163948) is 1-ethyl-2-fluoro-3-methoxypyridin-4-one.
What is the SMILES notation for 1-ethyl-2-fluoro-3-methoxypyridin-4-one?
The canonical SMILES for 1-ethyl-2-fluoro-3-methoxypyridin-4-one is CCn1ccc(=O)c(OC)c1F.
What is the InChIKey of 1-ethyl-2-fluoro-3-methoxypyridin-4-one?
The InChIKey is DLAAFQQDQHTREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-3-10-5-4-6(11)7(12-2)8(10)9/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-3-methoxypyridin-4-one?
1-ethyl-2-fluoro-3-methoxypyridin-4-one has a molecular weight of 171.17 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-3-methoxypyridin-4-one is sourced from PubChem (CID 89163948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).