2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine

C11H16FN — CID 59539521

IUPAC2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
SMILESC[C@H](c1ccc(F)cn1)C(C)(C)C
InChIInChI=1S/C11H16FN/c1-8(11(2,3)4)10-6-5-9(12)7-13-10/h5-8H,1-4H3/t8-/m1/s1
InChIKeyOASJOUWPJJEQDB-MRVPVSSYSA-N
MW181.25 g/mol
LogP3.37
Rot. Bonds1

About 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine

2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine (PubChem CID 59539521) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
PubChem CID59539521
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
SMILESC[C@H](c1ccc(F)cn1)C(C)(C)C
InChIInChI=1S/C11H16FN/c1-8(11(2,3)4)10-6-5-9(12)7-13-10/h5-8H,1-4H3/t8-/m1/s1
InChIKeyOASJOUWPJJEQDB-MRVPVSSYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-pyridinyl)-4-methylpentan-3-ol
CID 83128846
3-(5-fluoro-2-pyridinyl)-4-methylpentan-2-ol
CID 63200803
1-(5-fluoro-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 130647256
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
bis(1-fluoro-4-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;methane
CID 158662647
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 68880010
2-(tert-butylamino)-1-(5-fluoro-2-pyridinyl)ethanol
CID 138472981
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
4,4,4-trifluoro-1-(5-fluoro-2-pyridinyl)butan-1-ol
CID 79722278
(5-fluoro-2-pyridinyl)-(4-propan-2-ylphenyl)methanol
CID 79721925
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine?
The IUPAC name of 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine (CID 59539521) is 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine?
The canonical SMILES for 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine is C[C@H](c1ccc(F)cn1)C(C)(C)C.
What is the InChIKey of 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine?
The InChIKey is OASJOUWPJJEQDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(11(2,3)4)10-6-5-9(12)7-13-10/h5-8H,1-4H3/t8-/m1/s1.
What are the key properties of 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine?
2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine has a molecular weight of 181.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine is sourced from PubChem (CID 59539521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).