1-ethanimidoyl-4-methylpyridin-2-imine

C8H11N3 — CID 166139658

IUPAC1-ethanimidoyl-4-methylpyridin-2-imine
SMILES[H]/N=C(\C)n1ccc(C)c/c1=N\[H]
InChIInChI=1S/C8H11N3/c1-6-3-4-11(7(2)9)8(10)5-6/h3-5,9-10H,1-2H3/b9-7+,10-8+
InChIKeyAUULAMFCDYUZFL-FIFLTTCUSA-N
MW149.20 g/mol
LogP1.12
Rot. Bonds

About 1-ethanimidoyl-4-methylpyridin-2-imine

1-ethanimidoyl-4-methylpyridin-2-imine (PubChem CID 166139658) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1-ethanimidoyl-4-methylpyridin-2-imine.

Molecular Properties

Compound Name1-ethanimidoyl-4-methylpyridin-2-imine
PubChem CID166139658
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1-ethanimidoyl-4-methylpyridin-2-imine
SMILES[H]/N=C(\C)n1ccc(C)c/c1=N\[H]
InChIInChI=1S/C8H11N3/c1-6-3-4-11(7(2)9)8(10)5-6/h3-5,9-10H,1-2H3/b9-7+,10-8+
InChIKeyAUULAMFCDYUZFL-FIFLTTCUSA-N
XLogP1.12
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-4-methylpyridin-2-imine?
The IUPAC name of 1-ethanimidoyl-4-methylpyridin-2-imine (CID 166139658) is 1-ethanimidoyl-4-methylpyridin-2-imine.
What is the SMILES notation for 1-ethanimidoyl-4-methylpyridin-2-imine?
The canonical SMILES for 1-ethanimidoyl-4-methylpyridin-2-imine is [H]/N=C(\C)n1ccc(C)c/c1=N\[H].
What is the InChIKey of 1-ethanimidoyl-4-methylpyridin-2-imine?
The InChIKey is AUULAMFCDYUZFL-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-4-11(7(2)9)8(10)5-6/h3-5,9-10H,1-2H3/b9-7+,10-8+.
What are the key properties of 1-ethanimidoyl-4-methylpyridin-2-imine?
1-ethanimidoyl-4-methylpyridin-2-imine has a molecular weight of 149.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-4-methylpyridin-2-imine is sourced from PubChem (CID 166139658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).