1-(2-fluoro-3-pyridinyl)-2-methoxyethanone

C8H8FNO2 — CID 25193879

IUPAC1-(2-fluoro-3-pyridinyl)-2-methoxyethanone
SMILESCOCC(=O)c1cccnc1F
InChIInChI=1S/C8H8FNO2/c1-12-5-7(11)6-3-2-4-10-8(6)9/h2-4H,5H2,1H3
InChIKeyMZHMIUYABUFEDM-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone

1-(2-fluoro-3-pyridinyl)-2-methoxyethanone (PubChem CID 25193879) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-pyridinyl)-2-methoxyethanone
PubChem CID25193879
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name1-(2-fluoro-3-pyridinyl)-2-methoxyethanone
SMILESCOCC(=O)c1cccnc1F
InChIInChI=1S/C8H8FNO2/c1-12-5-7(11)6-3-2-4-10-8(6)9/h2-4H,5H2,1H3
InChIKeyMZHMIUYABUFEDM-UHFFFAOYSA-N
XLogP1.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.05
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-(2-fluoro-3-pyridinyl)-2-methoxyethanone?
The IUPAC name of 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone (CID 25193879) is 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone?
The canonical SMILES for 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone is COCC(=O)c1cccnc1F.
What is the InChIKey of 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone?
The InChIKey is MZHMIUYABUFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-12-5-7(11)6-3-2-4-10-8(6)9/h2-4H,5H2,1H3.
What are the key properties of 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone?
1-(2-fluoro-3-pyridinyl)-2-methoxyethanone has a molecular weight of 169.16 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-pyridinyl)-2-methoxyethanone is sourced from PubChem (CID 25193879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).