1-hydroxy-2,3-dimethylpyridin-4-imine

C7H10N2O — CID 45079838

IUPAC1-hydroxy-2,3-dimethylpyridin-4-imine
SMILES[H]/N=c1\ccn(O)c(C)c1C
InChIInChI=1S/C7H10N2O/c1-5-6(2)9(10)4-3-7(5)8/h3-4,8,10H,1-2H3/b8-7+
InChIKeyIGIJOBPAUWASQM-BQYQJAHWSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds

About 1-hydroxy-2,3-dimethylpyridin-4-imine

1-hydroxy-2,3-dimethylpyridin-4-imine (PubChem CID 45079838) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-hydroxy-2,3-dimethylpyridin-4-imine.

Molecular Properties

Compound Name1-hydroxy-2,3-dimethylpyridin-4-imine
PubChem CID45079838
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-hydroxy-2,3-dimethylpyridin-4-imine
SMILES[H]/N=c1\ccn(O)c(C)c1C
InChIInChI=1S/C7H10N2O/c1-5-6(2)9(10)4-3-7(5)8/h3-4,8,10H,1-2H3/b8-7+
InChIKeyIGIJOBPAUWASQM-BQYQJAHWSA-N
XLogP0.82
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.82
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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Related Compounds

2,3-Dimethyl-4-hydroxyaminopyridine 1-oxide
CID 9587879
(4e)-4-Imino-3-methylpyridin-1(4h)-ol
CID 247773
5-Ethyl-1-hydroxy-2-methylpyridin-4-imine
CID 4047219
2-(o-aminophenyl)pyridine N-oxide
CID 87541817
Benzenamine, N4-oxide
CID 54606662
4-Amino-2-methylpyridin-1-ium-1-olate
CID 580090
1-Hydroxy-2,3,5-trimethylpyridin-4-imine
CID 16737139
2-Ethyl-1-hydroxypyridin-4-imine
CID 19912995
1-Hydroxy-4-imino-2-methylpyridin-3-amine
CID 68581068
6-(1-Hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride
CID 68693984
1-Hydroxy-4-imino-6-methylpyridin-3-amine
CID 69754086
3-Ethyl-1-hydroxy-2-methylpyridin-4-imine
CID 89068229

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3-dimethylpyridin-4-imine?
The IUPAC name of 1-hydroxy-2,3-dimethylpyridin-4-imine (CID 45079838) is 1-hydroxy-2,3-dimethylpyridin-4-imine.
What is the SMILES notation for 1-hydroxy-2,3-dimethylpyridin-4-imine?
The canonical SMILES for 1-hydroxy-2,3-dimethylpyridin-4-imine is [H]/N=c1\ccn(O)c(C)c1C.
What is the InChIKey of 1-hydroxy-2,3-dimethylpyridin-4-imine?
The InChIKey is IGIJOBPAUWASQM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-6(2)9(10)4-3-7(5)8/h3-4,8,10H,1-2H3/b8-7+.
What are the key properties of 1-hydroxy-2,3-dimethylpyridin-4-imine?
1-hydroxy-2,3-dimethylpyridin-4-imine has a molecular weight of 138.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3-dimethylpyridin-4-imine is sourced from PubChem (CID 45079838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).