(4-pyridin-3-ylphenyl)methanimine

C12H10N2 — CID 90222004

IUPAC(4-pyridin-3-ylphenyl)methanimine
SMILES[H]/N=C/c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C12H10N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-9,13H/b13-8+
InChIKeyORVUAYBAGCXVTH-MDWZMJQESA-N
MW182.23 g/mol
LogP2.75
Rot. Bonds2

About (4-pyridin-3-ylphenyl)methanimine

(4-pyridin-3-ylphenyl)methanimine (PubChem CID 90222004) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is (4-pyridin-3-ylphenyl)methanimine.

Molecular Properties

Compound Name(4-pyridin-3-ylphenyl)methanimine
PubChem CID90222004
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name(4-pyridin-3-ylphenyl)methanimine
SMILES[H]/N=C/c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C12H10N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-9,13H/b13-8+
InChIKeyORVUAYBAGCXVTH-MDWZMJQESA-N
XLogP2.75
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylphenyl)methanimine?
The IUPAC name of (4-pyridin-3-ylphenyl)methanimine (CID 90222004) is (4-pyridin-3-ylphenyl)methanimine.
What is the SMILES notation for (4-pyridin-3-ylphenyl)methanimine?
The canonical SMILES for (4-pyridin-3-ylphenyl)methanimine is [H]/N=C/c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (4-pyridin-3-ylphenyl)methanimine?
The InChIKey is ORVUAYBAGCXVTH-MDWZMJQESA-N. The full InChI is InChI=1S/C12H10N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-9,13H/b13-8+.
What are the key properties of (4-pyridin-3-ylphenyl)methanimine?
(4-pyridin-3-ylphenyl)methanimine has a molecular weight of 182.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylphenyl)methanimine is sourced from PubChem (CID 90222004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).