(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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Related Compounds

3-azulen-6-ylpyridine
CID 86232079
cyclopenta[c]azepine
CID 638010
N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline
CID 88917763
methane;(4-phenylphenyl)methanimine;[4-(3-phenylphenyl)phenyl]methanimine;[4-[3-(3-phenylphenyl)phenyl]phenyl]methanimine;[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine;[4-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]methanimine
CID 167704574
CID 141390156
CID 141390156
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
bis(4-pyridin-3-ylphenyl)diazene
CID 101443558
3-(3,5-diphenylphenyl)pyridine
CID 141411458
[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]methanimine
CID 166964827
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875

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).