1-(5-fluoro-2-pyridinyl)propan-1-one

C8H8FNO — CID 71683315

IUPAC1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(F)cn1
InChIInChI=1S/C8H8FNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKeyISOUOXUJXKRQBQ-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.81
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)propan-1-one

1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 71683315) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID71683315
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ccc(F)cn1
InChIInChI=1S/C8H8FNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3
InChIKeyISOUOXUJXKRQBQ-UHFFFAOYSA-N
XLogP1.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)propan-1-one (CID 71683315) is 1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)propan-1-one is CCC(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is ISOUOXUJXKRQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-2-8(11)7-4-3-6(9)5-10-7/h3-5H,2H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)propan-1-one?
1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 153.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 71683315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).