5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol

C14H14N2O — CID 2312856

IUPAC5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol
SMILESCc1ccc(/C=N/Cc2ccncc2)c(O)c1
InChIInChI=1S/C14H14N2O/c1-11-2-3-13(14(17)8-11)10-16-9-12-4-6-15-7-5-12/h2-8,10,17H,9H2,1H3/b16-10+
InChIKeyIKJBNYYKWPKOGV-MHWRWJLKSA-N
MW226.28 g/mol
LogP2.71
Rot. Bonds3

About 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol

5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol (PubChem CID 2312856) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol
PubChem CID2312856
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol
SMILESCc1ccc(/C=N/Cc2ccncc2)c(O)c1
InChIInChI=1S/C14H14N2O/c1-11-2-3-13(14(17)8-11)10-16-9-12-4-6-15-7-5-12/h2-8,10,17H,9H2,1H3/b16-10+
InChIKeyIKJBNYYKWPKOGV-MHWRWJLKSA-N
XLogP2.71
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol?
The IUPAC name of 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol (CID 2312856) is 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol.
What is the SMILES notation for 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol?
The canonical SMILES for 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol is Cc1ccc(/C=N/Cc2ccncc2)c(O)c1.
What is the InChIKey of 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol?
The InChIKey is IKJBNYYKWPKOGV-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-2-3-13(14(17)8-11)10-16-9-12-4-6-15-7-5-12/h2-8,10,17H,9H2,1H3/b16-10+.
What are the key properties of 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol?
5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol has a molecular weight of 226.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyridin-4-ylmethyliminomethyl)phenol is sourced from PubChem (CID 2312856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).