2-ethoxy-6-(pyridin-3-yliminomethyl)phenol

C14H14N2O2 — CID 135840457

IUPAC2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2cccnc2)c1O
InChIInChI=1S/C14H14N2O2/c1-2-18-13-7-3-5-11(14(13)17)9-16-12-6-4-8-15-10-12/h3-10,17H,2H2,1H3/b16-9+
InChIKeyVLBZYFVANZKWSN-CXUHLZMHSA-N
MW242.28 g/mol
LogP2.94
Rot. Bonds4

About 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol

2-ethoxy-6-(pyridin-3-yliminomethyl)phenol (PubChem CID 135840457) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
PubChem CID135840457
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2cccnc2)c1O
InChIInChI=1S/C14H14N2O2/c1-2-18-13-7-3-5-11(14(13)17)9-16-12-6-4-8-15-10-12/h3-10,17H,2H2,1H3/b16-9+
InChIKeyVLBZYFVANZKWSN-CXUHLZMHSA-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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Related Compounds

2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol
CID 135760992
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
CID 135595869
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
2-ethoxy-6-[(E)-2-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 139177834

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol?
The IUPAC name of 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol (CID 135840457) is 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol?
The canonical SMILES for 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol is CCOc1cccc(/C=N/c2cccnc2)c1O.
What is the InChIKey of 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol?
The InChIKey is VLBZYFVANZKWSN-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-18-13-7-3-5-11(14(13)17)9-16-12-6-4-8-15-10-12/h3-10,17H,2H2,1H3/b16-9+.
What are the key properties of 2-ethoxy-6-(pyridin-3-yliminomethyl)phenol?
2-ethoxy-6-(pyridin-3-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-(pyridin-3-yliminomethyl)phenol is sourced from PubChem (CID 135840457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).