3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine

C11H12F4N2O2S — CID 103299373

IUPAC3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1ncccc1F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H12F4N2O2S/c12-9-4-1-5-16-10(9)20(18,19)17-6-2-3-8(7-17)11(13,14)15/h1,4-5,8H,2-3,6-7H2
InChIKeyMZTFVLDUGPFIBB-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.18
Rot. Bonds2

About 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine

3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 103299373) has the molecular formula C11H12F4N2O2S and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
PubChem CID103299373
Molecular FormulaC11H12F4N2O2S
Molecular Weight312.29 g/mol
Exact Mass312.06
IUPAC Name3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1ncccc1F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H12F4N2O2S/c12-9-4-1-5-16-10(9)20(18,19)17-6-2-3-8(7-17)11(13,14)15/h1,4-5,8H,2-3,6-7H2
InChIKeyMZTFVLDUGPFIBB-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 103300054
(3S)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303035
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine (CID 103299373) is 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1ncccc1F)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is MZTFVLDUGPFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O2S/c12-9-4-1-5-16-10(9)20(18,19)17-6-2-3-8(7-17)11(13,14)15/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine?
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 312.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 103299373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).