2-(pyridin-3-ylmethylideneamino)phenol

C12H10N2O — CID 708096

IUPAC2-(pyridin-3-ylmethylideneamino)phenol
SMILESOc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C12H10N2O/c15-12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-9,15H/b14-9+
InChIKeyPGNIDFJAISFYHG-NTEUORMPSA-N
MW198.22 g/mol
LogP2.54
Rot. Bonds2

About 2-(pyridin-3-ylmethylideneamino)phenol

2-(pyridin-3-ylmethylideneamino)phenol (PubChem CID 708096) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylideneamino)phenol.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylideneamino)phenol
PubChem CID708096
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(pyridin-3-ylmethylideneamino)phenol
SMILESOc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C12H10N2O/c15-12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-9,15H/b14-9+
InChIKeyPGNIDFJAISFYHG-NTEUORMPSA-N
XLogP2.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.54
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 2-(pyridin-3-ylmethylideneamino)phenol?
The IUPAC name of 2-(pyridin-3-ylmethylideneamino)phenol (CID 708096) is 2-(pyridin-3-ylmethylideneamino)phenol.
What is the SMILES notation for 2-(pyridin-3-ylmethylideneamino)phenol?
The canonical SMILES for 2-(pyridin-3-ylmethylideneamino)phenol is Oc1ccccc1/N=C/c1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylideneamino)phenol?
The InChIKey is PGNIDFJAISFYHG-NTEUORMPSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-9,15H/b14-9+.
What are the key properties of 2-(pyridin-3-ylmethylideneamino)phenol?
2-(pyridin-3-ylmethylideneamino)phenol has a molecular weight of 198.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylideneamino)phenol is sourced from PubChem (CID 708096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).