1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one

C10H8FNO — CID 79723515

IUPAC1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
SMILESC#CCCC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H8FNO/c1-2-3-4-10(13)9-6-5-8(11)7-12-9/h1,5-7H,3-4H2
InChIKeyIALXUNQILYGPRF-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.82
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one

1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one (PubChem CID 79723515) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
PubChem CID79723515
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one
SMILESC#CCCC(=O)c1ccc(F)cn1
InChIInChI=1S/C10H8FNO/c1-2-3-4-10(13)9-6-5-8(11)7-12-9/h1,5-7H,3-4H2
InChIKeyIALXUNQILYGPRF-UHFFFAOYSA-N
XLogP1.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
1-(5-fluoro-2-pyridinyl)but-3-en-1-one
CID 70650260
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
1-(5-fluoro-2-pyridinyl)oct-7-en-1-one
CID 107008319
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 105417098
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one (CID 79723515) is 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one is C#CCCC(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one?
The InChIKey is IALXUNQILYGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-2-3-4-10(13)9-6-5-8(11)7-12-9/h1,5-7H,3-4H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one?
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-one has a molecular weight of 177.18 g/mol, XLogP of 1.82, 3 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)pent-4-yn-1-one is sourced from PubChem (CID 79723515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).