2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C12H10N4O3 — CID 135443095

IUPAC2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccnc1N/N=C/c1ccccc1O
InChIInChI=1S/C12H10N4O3/c17-11-6-2-1-4-9(11)8-14-15-12-10(16(18)19)5-3-7-13-12/h1-8,17H,(H,13,15)/b14-8+
InChIKeyXZTYSIYZVXPZPS-RIYZIHGNSA-N
MW258.24 g/mol
LogP2.14
Rot. Bonds4

About 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 135443095) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID135443095
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccnc1N/N=C/c1ccccc1O
InChIInChI=1S/C12H10N4O3/c17-11-6-2-1-4-9(11)8-14-15-12-10(16(18)19)5-3-7-13-12/h1-8,17H,(H,13,15)/b14-8+
InChIKeyXZTYSIYZVXPZPS-RIYZIHGNSA-N
XLogP2.14
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 135443095) is 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cccnc1N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is XZTYSIYZVXPZPS-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11-6-2-1-4-9(11)8-14-15-12-10(16(18)19)5-3-7-13-12/h1-8,17H,(H,13,15)/b14-8+.
What are the key properties of 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 258.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135443095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).