2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol

C15H15N3O — CID 136763146

IUPAC2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
SMILESOc1ccccc1/C=N/CC/N=C/c1ccccn1
InChIInChI=1S/C15H15N3O/c19-15-7-2-1-5-13(15)11-16-9-10-17-12-14-6-3-4-8-18-14/h1-8,11-12,19H,9-10H2/b16-11+,17-12+
InChIKeyGRNQGDXREAQGJS-MAEUFBSDSA-N
MW253.31 g/mol
LogP2.33
Rot. Bonds5

About 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol

2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol (PubChem CID 136763146) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
PubChem CID136763146
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
SMILESOc1ccccc1/C=N/CC/N=C/c1ccccn1
InChIInChI=1S/C15H15N3O/c19-15-7-2-1-5-13(15)11-16-9-10-17-12-14-6-3-4-8-18-14/h1-8,11-12,19H,9-10H2/b16-11+,17-12+
InChIKeyGRNQGDXREAQGJS-MAEUFBSDSA-N
XLogP2.33
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]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

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
1-(6-pyridin-2-yl-2-pyridinyl)-N-[2-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]ethyl]methanimine
CID 102521217
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol?
The IUPAC name of 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol (CID 136763146) is 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol is Oc1ccccc1/C=N/CC/N=C/c1ccccn1.
What is the InChIKey of 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol?
The InChIKey is GRNQGDXREAQGJS-MAEUFBSDSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15-7-2-1-5-13(15)11-16-9-10-17-12-14-6-3-4-8-18-14/h1-8,11-12,19H,9-10H2/b16-11+,17-12+.
What are the key properties of 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol?
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol has a molecular weight of 253.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol is sourced from PubChem (CID 136763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).