4-methyl-2-(pyridin-2-ylmethylideneamino)phenol

C13H12N2O — CID 135520269

IUPAC4-methyl-2-(pyridin-2-ylmethylideneamino)phenol
SMILESCc1ccc(O)c(/N=C/c2ccccn2)c1
InChIInChI=1S/C13H12N2O/c1-10-5-6-13(16)12(8-10)15-9-11-4-2-3-7-14-11/h2-9,16H,1H3/b15-9+
InChIKeyZWNPKQOMIPGBBI-OQLLNIDSSA-N
MW212.25 g/mol
LogP2.85
Rot. Bonds2

About 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol

4-methyl-2-(pyridin-2-ylmethylideneamino)phenol (PubChem CID 135520269) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name4-methyl-2-(pyridin-2-ylmethylideneamino)phenol
PubChem CID135520269
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-methyl-2-(pyridin-2-ylmethylideneamino)phenol
SMILESCc1ccc(O)c(/N=C/c2ccccn2)c1
InChIInChI=1S/C13H12N2O/c1-10-5-6-13(16)12(8-10)15-9-11-4-2-3-7-14-11/h2-9,16H,1H3/b15-9+
InChIKeyZWNPKQOMIPGBBI-OQLLNIDSSA-N
XLogP2.85
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol?
The IUPAC name of 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol (CID 135520269) is 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol.
What is the SMILES notation for 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol?
The canonical SMILES for 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol is Cc1ccc(O)c(/N=C/c2ccccn2)c1.
What is the InChIKey of 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol?
The InChIKey is ZWNPKQOMIPGBBI-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-5-6-13(16)12(8-10)15-9-11-4-2-3-7-14-11/h2-9,16H,1H3/b15-9+.
What are the key properties of 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol?
4-methyl-2-(pyridin-2-ylmethylideneamino)phenol has a molecular weight of 212.25 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-2-ylmethylideneamino)phenol is sourced from PubChem (CID 135520269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).