2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol

C14H14N2O2 — CID 135515677

IUPAC2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ccccn2)c1O
InChIInChI=1S/C14H14N2O2/c1-2-18-12-7-5-6-11(14(12)17)10-16-13-8-3-4-9-15-13/h3-10,17H,2H2,1H3/b16-10+
InChIKeyYYZODCUIDXEDDU-MHWRWJLKSA-N
MW242.28 g/mol
LogP2.94
Rot. Bonds4

About 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol

2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol (PubChem CID 135515677) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
PubChem CID135515677
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ccccn2)c1O
InChIInChI=1S/C14H14N2O2/c1-2-18-12-7-5-6-11(14(12)17)10-16-13-8-3-4-9-15-13/h3-10,17H,2H2,1H3/b16-10+
InChIKeyYYZODCUIDXEDDU-MHWRWJLKSA-N
XLogP2.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol (CID 135515677) is 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol is CCOc1cccc(/C=N/c2ccccn2)c1O.
What is the InChIKey of 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol?
The InChIKey is YYZODCUIDXEDDU-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-12-7-5-6-11(14(12)17)10-16-13-8-3-4-9-15-13/h3-10,17H,2H2,1H3/b16-10+.
What are the key properties of 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol?
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol has a molecular weight of 242.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol is sourced from PubChem (CID 135515677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).