2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C14H15N3O3 — CID 135470845

IUPAC2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccn2)cc(OC)c1O
InChIInChI=1S/C14H15N3O3/c1-19-11-7-10(8-12(20-2)14(11)18)9-16-17-13-5-3-4-6-15-13/h3-9,18H,1-2H3,(H,15,17)/b16-9+
InChIKeyKUAFGQNJXHDLQT-CXUHLZMHSA-N
MW273.29 g/mol
LogP2.25
Rot. Bonds5

About 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135470845) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135470845
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccn2)cc(OC)c1O
InChIInChI=1S/C14H15N3O3/c1-19-11-7-10(8-12(20-2)14(11)18)9-16-17-13-5-3-4-6-15-13/h3-9,18H,1-2H3,(H,15,17)/b16-9+
InChIKeyKUAFGQNJXHDLQT-CXUHLZMHSA-N
XLogP2.25
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135470845) is 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is COc1cc(/C=N/Nc2ccccn2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is KUAFGQNJXHDLQT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-11-7-10(8-12(20-2)14(11)18)9-16-17-13-5-3-4-6-15-13/h3-9,18H,1-2H3,(H,15,17)/b16-9+.
What are the key properties of 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 273.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135470845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).