5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine

C11H12F3N3O3 — CID 106750141

IUPAC5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1O[C@H]1CCCNC1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)10-4-9(8(6-16-10)17(18)19)20-7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2/t7-/m0/s1
InChIKeyPLHMZGZXFYMRGX-ZETCQYMHSA-N
MW291.23 g/mol
LogP2.14
Rot. Bonds3

About 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine

5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine (PubChem CID 106750141) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine
PubChem CID106750141
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1O[C@H]1CCCNC1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)10-4-9(8(6-16-10)17(18)19)20-7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2/t7-/m0/s1
InChIKeyPLHMZGZXFYMRGX-ZETCQYMHSA-N
XLogP2.14
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-4-(2-pyrrolidin-3-ylethoxy)-2-(trifluoromethyl)pyridine
CID 106750147
N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106748879
3-bromo-4-methyl-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 113420700
3-bromo-4-methyl-5-nitro-2-piperidin-3-yloxypyridine
CID 104508427
(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206
5-nitro-N-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 106749939
2-chloro-4-cyclopentyloxy-5-nitropyridine
CID 170737664
3-chloro-5-nitro-2-piperidin-3-yloxypyridine
CID 114046940
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-amine
CID 106750124

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine (CID 106750141) is 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine is O=[N+]([O-])c1cnc(C(F)(F)F)cc1O[C@H]1CCCNC1.
What is the InChIKey of 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine?
The InChIKey is PLHMZGZXFYMRGX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)10-4-9(8(6-16-10)17(18)19)20-7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2/t7-/m0/s1.
What are the key properties of 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine?
5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine has a molecular weight of 291.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-[(3S)-piperidin-3-yl]oxy-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 106750141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).