4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol

C12H10N4O4 — CID 135573310

IUPAC4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2O)nc1
InChIInChI=1S/C12H10N4O4/c17-10-3-1-8(11(18)5-10)6-14-15-12-4-2-9(7-13-12)16(19)20/h1-7,17-18H,(H,13,15)/b14-6+
InChIKeyVMBSMRLYXJOQEZ-MKMNVTDBSA-N
MW274.24 g/mol
LogP1.85
Rot. Bonds4

About 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135573310) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135573310
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2O)nc1
InChIInChI=1S/C12H10N4O4/c17-10-3-1-8(11(18)5-10)6-14-15-12-4-2-9(7-13-12)16(19)20/h1-7,17-18H,(H,13,15)/b14-6+
InChIKeyVMBSMRLYXJOQEZ-MKMNVTDBSA-N
XLogP1.85
TPSA120.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135573310) is 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol is O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2O)nc1.
What is the InChIKey of 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is VMBSMRLYXJOQEZ-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H10N4O4/c17-10-3-1-8(11(18)5-10)6-14-15-12-4-2-9(7-13-12)16(19)20/h1-7,17-18H,(H,13,15)/b14-6+.
What are the key properties of 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 274.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135573310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).