1-hydroxy-2-methylpyridin-4-imine

C6H8N2O — CID 580090

IUPAC1-hydroxy-2-methylpyridin-4-imine
SMILES[H]/N=c1\ccn(O)c(C)c1
InChIInChI=1S/C6H8N2O/c1-5-4-6(7)2-3-8(5)9/h2-4,7,9H,1H3/b7-6+
InChIKeyHTCBLPROTVNSSA-VOTSOKGWSA-N
MW124.14 g/mol
LogP0.51
Rot. Bonds

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

1-hydroxy-2-methylpyridin-4-imine (PubChem CID 580090) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-hydroxy-2-methylpyridin-4-imine.

Molecular Properties

Compound Name1-hydroxy-2-methylpyridin-4-imine
PubChem CID580090
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-hydroxy-2-methylpyridin-4-imine
SMILES[H]/N=c1\ccn(O)c(C)c1
InChIInChI=1S/C6H8N2O/c1-5-4-6(7)2-3-8(5)9/h2-4,7,9H,1H3/b7-6+
InChIKeyHTCBLPROTVNSSA-VOTSOKGWSA-N
XLogP0.51
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.51
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-2-methylpyridin-4-imine?
The IUPAC name of 1-hydroxy-2-methylpyridin-4-imine (CID 580090) is 1-hydroxy-2-methylpyridin-4-imine.
What is the SMILES notation for 1-hydroxy-2-methylpyridin-4-imine?
The canonical SMILES for 1-hydroxy-2-methylpyridin-4-imine is [H]/N=c1\ccn(O)c(C)c1.
What is the InChIKey of 1-hydroxy-2-methylpyridin-4-imine?
The InChIKey is HTCBLPROTVNSSA-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-4-6(7)2-3-8(5)9/h2-4,7,9H,1H3/b7-6+.
What are the key properties of 1-hydroxy-2-methylpyridin-4-imine?
1-hydroxy-2-methylpyridin-4-imine has a molecular weight of 124.14 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methylpyridin-4-imine is sourced from PubChem (CID 580090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).