3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol

C12H11N3O2 — CID 135537314

IUPAC3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/Nc2ccccn2)c1O
InChIInChI=1S/C12H11N3O2/c16-10-5-3-4-9(12(10)17)8-14-15-11-6-1-2-7-13-11/h1-8,16-17H,(H,13,15)/b14-8+
InChIKeyIBKKKDZJTJRIAT-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.94
Rot. Bonds3

About 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol

3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 135537314) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID135537314
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/Nc2ccccn2)c1O
InChIInChI=1S/C12H11N3O2/c16-10-5-3-4-9(12(10)17)8-14-15-11-6-1-2-7-13-11/h1-8,16-17H,(H,13,15)/b14-8+
InChIKeyIBKKKDZJTJRIAT-RIYZIHGNSA-N
XLogP1.94
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (CID 135537314) is 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is Oc1cccc(/C=N/Nc2ccccn2)c1O.
What is the InChIKey of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is IBKKKDZJTJRIAT-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-10-5-3-4-9(12(10)17)8-14-15-11-6-1-2-7-13-11/h1-8,16-17H,(H,13,15)/b14-8+.
What are the key properties of 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 229.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 135537314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).