3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine

C11H11N5O — CID 59872328

IUPAC3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine
SMILES[H]/N=C1\N=C(C)C=CC1=NN=c1ccccn1O
InChIInChI=1S/C11H11N5O/c1-8-5-6-9(11(12)13-8)14-15-10-4-2-3-7-16(10)17/h2-7,12,17H,1H3/b12-11-,14-9?,15-10?
InChIKeyUWBDXCUKHOVXMJ-FJFKURBASA-N
MW229.24 g/mol
LogP0.99
Rot. Bonds1

About 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine

3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine (PubChem CID 59872328) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine.

Molecular Properties

Compound Name3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine
PubChem CID59872328
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine
SMILES[H]/N=C1\N=C(C)C=CC1=NN=c1ccccn1O
InChIInChI=1S/C11H11N5O/c1-8-5-6-9(11(12)13-8)14-15-10-4-2-3-7-16(10)17/h2-7,12,17H,1H3/b12-11-,14-9?,15-10?
InChIKeyUWBDXCUKHOVXMJ-FJFKURBASA-N
XLogP0.99
TPSA86.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]cyclohexa-2,5-diene-1,4-diimine
CID 18720657
5-[(1-Hydroxy-2-pyridinylidene)hydrazinylidene]-6-iminopyridin-2-amine
CID 54021237
5-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-6-iminopyridin-2-amine
CID 58671716
6-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 58671717
6-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 58671722
4-[(E)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 58671725
2-N-[(E)-(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 58671729
4-N-[(E)-(1-hydroxy-2-pyridinylidene)amino]-2,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 59123292
2-N-[(1-hydroxy-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 59872341
4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 59879673
2-N-[(1-hydroxy-4-methyl-2-pyridinylidene)amino]-4,5-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 59879677
(6E)-6-[(Z)-(1-hydroxy-4-propyl-2-pyridinylidene)hydrazinylidene]-3-imino-4-methylcyclohexa-1,4-dien-1-amine
CID 59884277

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine?
The IUPAC name of 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine (CID 59872328) is 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine.
What is the SMILES notation for 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine?
The canonical SMILES for 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine is [H]/N=C1\N=C(C)C=CC1=NN=c1ccccn1O.
What is the InChIKey of 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine?
The InChIKey is UWBDXCUKHOVXMJ-FJFKURBASA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-5-6-9(11(12)13-8)14-15-10-4-2-3-7-16(10)17/h2-7,12,17H,1H3/b12-11-,14-9?,15-10?.
What are the key properties of 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine?
3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine has a molecular weight of 229.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1-hydroxy-2-pyridinylidene)amino]-6-methylpyridine-2,3-diimine is sourced from PubChem (CID 59872328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).