1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone

C8H8FNO2 — CID 130115536

IUPAC1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone
SMILESCOc1nccc(F)c1C(C)=O
InChIInChI=1S/C8H8FNO2/c1-5(11)7-6(9)3-4-10-8(7)12-2/h3-4H,1-2H3
InChIKeyIACGMWGFBRHCRI-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.43
Rot. Bonds2

About 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone

1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone (PubChem CID 130115536) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone
PubChem CID130115536
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone
SMILESCOc1nccc(F)c1C(C)=O
InChIInChI=1S/C8H8FNO2/c1-5(11)7-6(9)3-4-10-8(7)12-2/h3-4H,1-2H3
InChIKeyIACGMWGFBRHCRI-UHFFFAOYSA-N
XLogP1.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone (CID 130115536) is 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone is COc1nccc(F)c1C(C)=O.
What is the InChIKey of 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone?
The InChIKey is IACGMWGFBRHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-5(11)7-6(9)3-4-10-8(7)12-2/h3-4H,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone?
1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone has a molecular weight of 169.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 130115536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).