(E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine

C12H10N4 — CID 6861454

IUPAC(E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1cccnc1)\c1cccnc1
InChIInChI=1S/C12H10N4/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-10H/b15-9+,16-10+
InChIKeyOOXNKQISMJMZRH-KAVGSWPWSA-N
MW210.24 g/mol
LogP1.93
Rot. Bonds3

About (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine

(E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine (PubChem CID 6861454) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine
PubChem CID6861454
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name(E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine
SMILESC(=N/N=C/c1cccnc1)\c1cccnc1
InChIInChI=1S/C12H10N4/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-10H/b15-9+,16-10+
InChIKeyOOXNKQISMJMZRH-KAVGSWPWSA-N
XLogP1.93
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.93
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)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine (CID 6861454) is (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine is C(=N/N=C/c1cccnc1)\c1cccnc1.
What is the InChIKey of (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine?
The InChIKey is OOXNKQISMJMZRH-KAVGSWPWSA-N. The full InChI is InChI=1S/C12H10N4/c1-3-11(7-13-5-1)9-15-16-10-12-4-2-6-14-8-12/h1-10H/b15-9+,16-10+.
What are the key properties of (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine?
(E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine has a molecular weight of 210.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-3-yl-N-[(E)-pyridin-3-ylmethylideneamino]methanimine is sourced from PubChem (CID 6861454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).