7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane

C11H13FN2OS — CID 131677378

IUPAC7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane
SMILESFc1cccnc1OC1CSC2(CNC2)C1
InChIInChI=1S/C11H13FN2OS/c12-9-2-1-3-14-10(9)15-8-4-11(16-5-8)6-13-7-11/h1-3,8,13H,4-7H2
InChIKeyBTLXVDDLYSXLSG-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.45
Rot. Bonds2

About 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane

7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane (PubChem CID 131677378) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane
PubChem CID131677378
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC Name7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane
SMILESFc1cccnc1OC1CSC2(CNC2)C1
InChIInChI=1S/C11H13FN2OS/c12-9-2-1-3-14-10(9)15-8-4-11(16-5-8)6-13-7-11/h1-3,8,13H,4-7H2
InChIKeyBTLXVDDLYSXLSG-UHFFFAOYSA-N
XLogP1.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3-fluoro-2-pyridinyl)oxy]-2-[(2-methoxy-3-pyridinyl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 131646254
(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124782365
6-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 131662125
[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone
CID 133141279
2-ethylsulfonyl-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862570
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(2-methylfuran-3-yl)methanone
CID 124807351
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
(7R)-7-[(3-fluoro-2-pyridinyl)oxy]-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
CID 124805015
7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131647834
3-(dimethylamino)-1-[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 171695097

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane (CID 131677378) is 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane is Fc1cccnc1OC1CSC2(CNC2)C1.
What is the InChIKey of 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane?
The InChIKey is BTLXVDDLYSXLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-2-1-3-14-10(9)15-8-4-11(16-5-8)6-13-7-11/h1-3,8,13H,4-7H2.
What are the key properties of 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane?
7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane has a molecular weight of 240.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131677378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).