2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine

C13H19FN2O2 — CID 172904774

IUPAC2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine
SMILESCOCC(C)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C13H19FN2O2/c1-10(9-17-2)16-7-6-11(8-16)18-13-5-3-4-12(14)15-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyANNSWHBVGPXEHV-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.71
Rot. Bonds5

About 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine

2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine (PubChem CID 172904774) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine
PubChem CID172904774
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine
SMILESCOCC(C)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C13H19FN2O2/c1-10(9-17-2)16-7-6-11(8-16)18-13-5-3-4-12(14)15-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyANNSWHBVGPXEHV-UHFFFAOYSA-N
XLogP1.71
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 172882207
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
CID 172904789
2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
CID 172904787
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
CID 172904927
2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 171999952
2-cyclopentyloxy-6-fluoropyridine
CID 61227788
2-ethoxy-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 172882241
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481
2-methyl-6-[1-(4-methylpentan-2-yl)piperidin-4-yl]oxypyridine
CID 75457071

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine (CID 172904774) is 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine is COCC(C)N1CCC(Oc2cccc(F)n2)C1.
What is the InChIKey of 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine?
The InChIKey is ANNSWHBVGPXEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(9-17-2)16-7-6-11(8-16)18-13-5-3-4-12(14)15-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine?
2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine has a molecular weight of 254.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 172904774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).