1-benzylpyridin-2-imine

C12H12N2 — CID 4961624

IUPAC1-benzylpyridin-2-imine
SMILES[H]/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C12H12N2/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-9,13H,10H2/b13-12+
InChIKeyDBQGYLFXAFJYBW-OUKQBFOZSA-N
MW184.24 g/mol
LogP2.02
Rot. Bonds2

About 1-benzylpyridin-2-imine

1-benzylpyridin-2-imine (PubChem CID 4961624) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-benzylpyridin-2-imine.

Molecular Properties

Compound Name1-benzylpyridin-2-imine
PubChem CID4961624
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1-benzylpyridin-2-imine
SMILES[H]/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C12H12N2/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-9,13H,10H2/b13-12+
InChIKeyDBQGYLFXAFJYBW-OUKQBFOZSA-N
XLogP2.02
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyridin-2-imine?
The IUPAC name of 1-benzylpyridin-2-imine (CID 4961624) is 1-benzylpyridin-2-imine.
What is the SMILES notation for 1-benzylpyridin-2-imine?
The canonical SMILES for 1-benzylpyridin-2-imine is [H]/N=c1\ccccn1Cc1ccccc1.
What is the InChIKey of 1-benzylpyridin-2-imine?
The InChIKey is DBQGYLFXAFJYBW-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H12N2/c13-12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-9,13H,10H2/b13-12+.
What are the key properties of 1-benzylpyridin-2-imine?
1-benzylpyridin-2-imine has a molecular weight of 184.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyridin-2-imine is sourced from PubChem (CID 4961624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).