3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol

C9H11F3N2O2 — CID 106748386

IUPAC3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol
SMILESNc1cnc(C(F)(F)F)cc1OCCCO
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)8-4-7(6(13)5-14-8)16-3-1-2-15/h4-5,15H,1-3,13H2
InChIKeyBAFVYCXWYGGGTL-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.44
Rot. Bonds4

About 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol

3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol (PubChem CID 106748386) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol
PubChem CID106748386
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol
SMILESNc1cnc(C(F)(F)F)cc1OCCCO
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)8-4-7(6(13)5-14-8)16-3-1-2-15/h4-5,15H,1-3,13H2
InChIKeyBAFVYCXWYGGGTL-UHFFFAOYSA-N
XLogP1.44
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol (CID 106748386) is 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol is Nc1cnc(C(F)(F)F)cc1OCCCO.
What is the InChIKey of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol?
The InChIKey is BAFVYCXWYGGGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)8-4-7(6(13)5-14-8)16-3-1-2-15/h4-5,15H,1-3,13H2.
What are the key properties of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol?
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol has a molecular weight of 236.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 106748386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).