3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol

C9H11F3N2O2 — CID 102719752

IUPAC3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
SMILESNc1cc(C(F)(F)F)cc(OCCCO)n1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-4-7(13)14-8(5-6)16-3-1-2-15/h4-5,15H,1-3H2,(H2,13,14)
InChIKeyXLBRDSPSFVDZRI-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.44
Rot. Bonds4

About 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol (PubChem CID 102719752) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
PubChem CID102719752
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
SMILESNc1cc(C(F)(F)F)cc(OCCCO)n1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)6-4-7(13)14-8(5-6)16-3-1-2-15/h4-5,15H,1-3H2,(H2,13,14)
InChIKeyXLBRDSPSFVDZRI-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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Related Compounds

6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719653
6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine
CID 106795472
3-(6-amino-2-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80866181
3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
CID 106776344
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-(2-methoxyethyl)amino]ethanol
CID 102719240
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
4-(trifluoromethyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
CID 102720032
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]ethanol
CID 102718030
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol
CID 11543921
2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859442
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol (CID 102719752) is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol is Nc1cc(C(F)(F)F)cc(OCCCO)n1.
What is the InChIKey of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?
The InChIKey is XLBRDSPSFVDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)6-4-7(13)14-8(5-6)16-3-1-2-15/h4-5,15H,1-3H2,(H2,13,14).
What are the key properties of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol?
3-[[6-amino-4-(trifluoromethyl)-2-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-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 102719752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).