1-hydroxy-5-(trifluoromethyl)pyridin-2-imine

C6H5F3N2O — CID 67037144

IUPAC1-hydroxy-5-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=c1\ccc(C(F)(F)F)cn1O
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-5(10)11(12)3-4/h1-3,10,12H/b10-5+
InChIKeyPXESMJIQEGCYMG-BJMVGYQFSA-N
MW178.11 g/mol
LogP1.22
Rot. Bonds

About 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine

1-hydroxy-5-(trifluoromethyl)pyridin-2-imine (PubChem CID 67037144) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-hydroxy-5-(trifluoromethyl)pyridin-2-imine
PubChem CID67037144
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name1-hydroxy-5-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=c1\ccc(C(F)(F)F)cn1O
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-5(10)11(12)3-4/h1-3,10,12H/b10-5+
InChIKeyPXESMJIQEGCYMG-BJMVGYQFSA-N
XLogP1.22
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine (CID 67037144) is 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine is [H]/N=c1\ccc(C(F)(F)F)cn1O.
What is the InChIKey of 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine?
The InChIKey is PXESMJIQEGCYMG-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-5(10)11(12)3-4/h1-3,10,12H/b10-5+.
What are the key properties of 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine?
1-hydroxy-5-(trifluoromethyl)pyridin-2-imine has a molecular weight of 178.11 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 67037144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).