2-(pyridin-2-ylmethyliminomethyl)phenol

C13H12N2O — CID 3552663

IUPAC2-(pyridin-2-ylmethyliminomethyl)phenol
SMILESOc1ccccc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H12N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-9,16H,10H2/b14-9+
InChIKeyVSABJLUWDDHLNQ-NTEUORMPSA-N
MW212.25 g/mol
LogP2.41
Rot. Bonds3

About 2-(pyridin-2-ylmethyliminomethyl)phenol

2-(pyridin-2-ylmethyliminomethyl)phenol (PubChem CID 3552663) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyliminomethyl)phenol
PubChem CID3552663
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(pyridin-2-ylmethyliminomethyl)phenol
SMILESOc1ccccc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H12N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-9,16H,10H2/b14-9+
InChIKeyVSABJLUWDDHLNQ-NTEUORMPSA-N
XLogP2.41
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(pyridin-2-ylmethyliminomethyl)phenol?
The IUPAC name of 2-(pyridin-2-ylmethyliminomethyl)phenol (CID 3552663) is 2-(pyridin-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 2-(pyridin-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 2-(pyridin-2-ylmethyliminomethyl)phenol is Oc1ccccc1/C=N/Cc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethyliminomethyl)phenol?
The InChIKey is VSABJLUWDDHLNQ-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-9,16H,10H2/b14-9+.
What are the key properties of 2-(pyridin-2-ylmethyliminomethyl)phenol?
2-(pyridin-2-ylmethyliminomethyl)phenol has a molecular weight of 212.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 3552663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).