2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C13H12N4O4 — CID 135473369

IUPAC2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O
InChIInChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-8,18H,1H3,(H,14,16)/b15-7+
InChIKeyXPQRYAAEEVHBLQ-VIZOYTHASA-N
MW288.26 g/mol
LogP2.15
Rot. Bonds5

About 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 135473369) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID135473369
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O
InChIInChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-8,18H,1H3,(H,14,16)/b15-7+
InChIKeyXPQRYAAEEVHBLQ-VIZOYTHASA-N
XLogP2.15
TPSA109.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 135473369) is 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is COc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is XPQRYAAEEVHBLQ-VIZOYTHASA-N. The full InChI is InChI=1S/C13H12N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-8,18H,1H3,(H,14,16)/b15-7+.
What are the key properties of 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 288.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135473369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).