2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol

C13H11N3O — CID 135537317

IUPAC2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/N=C/c1ccncc1
InChIInChI=1S/C13H11N3O/c17-13-4-2-1-3-12(13)10-16-15-9-11-5-7-14-8-6-11/h1-10,17H/b15-9+,16-10+
InChIKeyICVATBMHLSXIJZ-KAVGSWPWSA-N
MW225.25 g/mol
LogP2.24
Rot. Bonds3

About 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol

2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol (PubChem CID 135537317) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol
PubChem CID135537317
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/N=C/c1ccncc1
InChIInChI=1S/C13H11N3O/c17-13-4-2-1-3-12(13)10-16-15-9-11-5-7-14-8-6-11/h1-10,17H/b15-9+,16-10+
InChIKeyICVATBMHLSXIJZ-KAVGSWPWSA-N
XLogP2.24
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

Salinazid
CID 135400471
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Isoquinolin-5-ol
CID 30386
3-Pyridinol, 5-benzyl-
CID 796726
NoName_714
CID 135489221
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
Phenyl(pyridin-3-yl)methanol
CID 234839
alpha-Phenyl-4-pyridinemethanol
CID 98305
8-Hydroxyisoquinoline
CID 135441711
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol (CID 135537317) is 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/N=C/c1ccncc1.
What is the InChIKey of 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol?
The InChIKey is ICVATBMHLSXIJZ-KAVGSWPWSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-4-2-1-3-12(13)10-16-15-9-11-5-7-14-8-6-11/h1-10,17H/b15-9+,16-10+.
What are the key properties of 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol?
2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol has a molecular weight of 225.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-pyridin-4-ylmethylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135537317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).