(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine

C12H11N3O — CID 127261349

IUPAC(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine
SMILESC/C=N/Oc1ccnc(-c2ccccn2)c1
InChIInChI=1S/C12H11N3O/c1-2-15-16-10-6-8-14-12(9-10)11-5-3-4-7-13-11/h2-9H,1H3/b15-2+
InChIKeyAFJFGEFIJFJXKO-RSSMCMFDSA-N
MW213.24 g/mol
LogP2.53
Rot. Bonds3

About (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine

(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine (PubChem CID 127261349) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine.

Molecular Properties

Compound Name(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine
PubChem CID127261349
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine
SMILESC/C=N/Oc1ccnc(-c2ccccn2)c1
InChIInChI=1S/C12H11N3O/c1-2-15-16-10-6-8-14-12(9-10)11-5-3-4-7-13-11/h2-9H,1H3/b15-2+
InChIKeyAFJFGEFIJFJXKO-RSSMCMFDSA-N
XLogP2.53
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine?
The IUPAC name of (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine (CID 127261349) is (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine.
What is the SMILES notation for (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine?
The canonical SMILES for (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine is C/C=N/Oc1ccnc(-c2ccccn2)c1.
What is the InChIKey of (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine?
The InChIKey is AFJFGEFIJFJXKO-RSSMCMFDSA-N. The full InChI is InChI=1S/C12H11N3O/c1-2-15-16-10-6-8-14-12(9-10)11-5-3-4-7-13-11/h2-9H,1H3/b15-2+.
What are the key properties of (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine?
(E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine has a molecular weight of 213.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-pyridin-2-yl-4-pyridinyl)oxy]ethanimine is sourced from PubChem (CID 127261349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).