5-ethyl-1-hydroxy-2-methylpyridin-4-imine

C8H12N2O — CID 4047219

IUPAC5-ethyl-1-hydroxy-2-methylpyridin-4-imine
SMILES[H]/N=c1\cc(C)n(O)cc1CC
InChIInChI=1S/C8H12N2O/c1-3-7-5-10(11)6(2)4-8(7)9/h4-5,9,11H,3H2,1-2H3/b9-8+
InChIKeyXFDRDADRDFMBJL-CMDGGOBGSA-N
MW152.20 g/mol
LogP1.08
Rot. Bonds1

About 5-ethyl-1-hydroxy-2-methylpyridin-4-imine

5-ethyl-1-hydroxy-2-methylpyridin-4-imine (PubChem CID 4047219) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-ethyl-1-hydroxy-2-methylpyridin-4-imine.

Molecular Properties

Compound Name5-ethyl-1-hydroxy-2-methylpyridin-4-imine
PubChem CID4047219
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-ethyl-1-hydroxy-2-methylpyridin-4-imine
SMILES[H]/N=c1\cc(C)n(O)cc1CC
InChIInChI=1S/C8H12N2O/c1-3-7-5-10(11)6(2)4-8(7)9/h4-5,9,11H,3H2,1-2H3/b9-8+
InChIKeyXFDRDADRDFMBJL-CMDGGOBGSA-N
XLogP1.08
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.08
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 5-ethyl-1-hydroxy-2-methylpyridin-4-imine?
The IUPAC name of 5-ethyl-1-hydroxy-2-methylpyridin-4-imine (CID 4047219) is 5-ethyl-1-hydroxy-2-methylpyridin-4-imine.
What is the SMILES notation for 5-ethyl-1-hydroxy-2-methylpyridin-4-imine?
The canonical SMILES for 5-ethyl-1-hydroxy-2-methylpyridin-4-imine is [H]/N=c1\cc(C)n(O)cc1CC.
What is the InChIKey of 5-ethyl-1-hydroxy-2-methylpyridin-4-imine?
The InChIKey is XFDRDADRDFMBJL-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-5-10(11)6(2)4-8(7)9/h4-5,9,11H,3H2,1-2H3/b9-8+.
What are the key properties of 5-ethyl-1-hydroxy-2-methylpyridin-4-imine?
5-ethyl-1-hydroxy-2-methylpyridin-4-imine has a molecular weight of 152.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hydroxy-2-methylpyridin-4-imine is sourced from PubChem (CID 4047219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).