1-methanimidoyl-4-methoxypyridin-2-imine

C7H9N3O — CID 168893761

IUPAC1-methanimidoyl-4-methoxypyridin-2-imine
SMILES[H]/N=C/n1ccc(OC)c/c1=N\[H]
InChIInChI=1S/C7H9N3O/c1-11-6-2-3-10(5-8)7(9)4-6/h2-5,8-9H,1H3/b8-5+,9-7+
InChIKeyJYAJDWSQENESGI-OCIXRKKMSA-N
MW151.17 g/mol
LogP0.43
Rot. Bonds2

About 1-methanimidoyl-4-methoxypyridin-2-imine

1-methanimidoyl-4-methoxypyridin-2-imine (PubChem CID 168893761) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-methanimidoyl-4-methoxypyridin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-4-methoxypyridin-2-imine
PubChem CID168893761
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-methanimidoyl-4-methoxypyridin-2-imine
SMILES[H]/N=C/n1ccc(OC)c/c1=N\[H]
InChIInChI=1S/C7H9N3O/c1-11-6-2-3-10(5-8)7(9)4-6/h2-5,8-9H,1H3/b8-5+,9-7+
InChIKeyJYAJDWSQENESGI-OCIXRKKMSA-N
XLogP0.43
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-Methoxy-1-methyl-2-pyridinylidene)hydrazine
CID 57847763
(Z)-N-[(Z)-ethylideneamino]-4-methoxy-1-methylpyridin-2-imine
CID 58981447
N-(ethylideneamino)-4-methoxy-1-methylpyridin-2-imine
CID 72480158
1-ethenyl-4-methoxy-N-methylpyridin-2-imine
CID 143234561
2-Imino-4-methoxypyridin-1-amine
CID 143883279
Buta-1,3-diene;ethane;2-imino-4-methoxypyridin-1-amine
CID 144179400
1-Ethyl-5-methoxypyridin-2-imine
CID 146663935
4-Methoxy-1-methylpyridin-2-imine
CID 155448001
5-Methoxy-1-methylpyridin-2-imine
CID 166787051
Heptane;1-methanimidoyl-4-methoxypyridin-2-imine
CID 168894219
(E)-N-(ethylideneamino)-4-methoxy-1-methylpyridin-2-imine
CID 173638747
(E)-(4-methoxy-1-methyl-2-pyridinylidene)hydrazine
CID 45088361

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-methoxypyridin-2-imine?
The IUPAC name of 1-methanimidoyl-4-methoxypyridin-2-imine (CID 168893761) is 1-methanimidoyl-4-methoxypyridin-2-imine.
What is the SMILES notation for 1-methanimidoyl-4-methoxypyridin-2-imine?
The canonical SMILES for 1-methanimidoyl-4-methoxypyridin-2-imine is [H]/N=C/n1ccc(OC)c/c1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-methoxypyridin-2-imine?
The InChIKey is JYAJDWSQENESGI-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H9N3O/c1-11-6-2-3-10(5-8)7(9)4-6/h2-5,8-9H,1H3/b8-5+,9-7+.
What are the key properties of 1-methanimidoyl-4-methoxypyridin-2-imine?
1-methanimidoyl-4-methoxypyridin-2-imine has a molecular weight of 151.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-methoxypyridin-2-imine is sourced from PubChem (CID 168893761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).