1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol

C11H12F3N3O3 — CID 106750060

IUPAC1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCC(O)C1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)10-4-8(9(5-15-10)17(19)20)16-3-1-2-7(18)6-16/h4-5,7,18H,1-3,6H2
InChIKeyXEPCQTYKNJKETL-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.97
Rot. Bonds2

About 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol

1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol (PubChem CID 106750060) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol
PubChem CID106750060
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC Name1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol
SMILESO=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCC(O)C1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)10-4-8(9(5-15-10)17(19)20)16-3-1-2-7(18)6-16/h4-5,7,18H,1-3,6H2
InChIKeyXEPCQTYKNJKETL-UHFFFAOYSA-N
XLogP1.97
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.97
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'}

Analyze 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carbaldehyde
CID 106750152
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 106748603
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanamine
CID 106749784
[1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]methanol
CID 106750084
(3S)-1-(4-chloro-5-fluoro-2-nitrophenyl)piperidin-3-ol
CID 107225312
1-(5-methyl-2-nitrophenyl)piperidin-3-ol
CID 79020369
1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-3-ol
CID 134010437
3-ethyl-1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]azetidin-3-ol
CID 106750079
1-(4-bromo-2-nitrophenyl)piperidin-3-ol
CID 55362682
3-(3-hydroxypiperidin-1-yl)-4-nitrobenzonitrile
CID 112694726
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
CID 106747103
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxylic acid
CID 106750108

Frequently Asked Questions

What is the IUPAC name of 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol (CID 106750060) is 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol is O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCC(O)C1.
What is the InChIKey of 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol?
The InChIKey is XEPCQTYKNJKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)10-4-8(9(5-15-10)17(19)20)16-3-1-2-7(18)6-16/h4-5,7,18H,1-3,6H2.
What are the key properties of 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol?
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol has a molecular weight of 291.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 106750060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).