2-(18F)fluoro-3-hex-5-ynoxypyridine

C11H12FNO — CID 25194435

IUPAC2-(18F)fluoro-3-hex-5-ynoxypyridine
SMILESC#CCCCCOc1cccnc1[18F]
InChIInChI=1S/C11H12FNO/c1-2-3-4-5-9-14-10-7-6-8-13-11(10)12/h1,6-8H,3-5,9H2/i12-1
InChIKeyOKZVBWMVIUPPEW-DWSYCVKZSA-N
MW192.22 g/mol
LogP2.40
Rot. Bonds5

About 2-(18F)fluoro-3-hex-5-ynoxypyridine

2-(18F)fluoro-3-hex-5-ynoxypyridine (PubChem CID 25194435) has the molecular formula C11H12FNO and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(18F)fluoro-3-hex-5-ynoxypyridine.

Molecular Properties

Compound Name2-(18F)fluoro-3-hex-5-ynoxypyridine
PubChem CID25194435
Molecular FormulaC11H12FNO
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(18F)fluoro-3-hex-5-ynoxypyridine
SMILESC#CCCCCOc1cccnc1[18F]
InChIInChI=1S/C11H12FNO/c1-2-3-4-5-9-14-10-7-6-8-13-11(10)12/h1,6-8H,3-5,9H2/i12-1
InChIKeyOKZVBWMVIUPPEW-DWSYCVKZSA-N
XLogP2.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluoro-3-hex-5-ynoxypyridine?
The IUPAC name of 2-(18F)fluoro-3-hex-5-ynoxypyridine (CID 25194435) is 2-(18F)fluoro-3-hex-5-ynoxypyridine.
What is the SMILES notation for 2-(18F)fluoro-3-hex-5-ynoxypyridine?
The canonical SMILES for 2-(18F)fluoro-3-hex-5-ynoxypyridine is C#CCCCCOc1cccnc1[18F].
What is the InChIKey of 2-(18F)fluoro-3-hex-5-ynoxypyridine?
The InChIKey is OKZVBWMVIUPPEW-DWSYCVKZSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-3-4-5-9-14-10-7-6-8-13-11(10)12/h1,6-8H,3-5,9H2/i12-1.
What are the key properties of 2-(18F)fluoro-3-hex-5-ynoxypyridine?
2-(18F)fluoro-3-hex-5-ynoxypyridine has a molecular weight of 192.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18F)fluoro-3-hex-5-ynoxypyridine is sourced from PubChem (CID 25194435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).