4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C12H10N4O3 — CID 3904863

IUPAC4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2)nc1
InChIInChI=1S/C12H10N4O3/c17-11-4-1-9(2-5-11)7-14-15-12-6-3-10(8-13-12)16(18)19/h1-8,17H,(H,13,15)
InChIKeyPEMWBWQJUYQAPQ-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.14
Rot. Bonds4

About 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 3904863) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID3904863
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2)nc1
InChIInChI=1S/C12H10N4O3/c17-11-4-1-9(2-5-11)7-14-15-12-6-3-10(8-13-12)16(18)19/h1-8,17H,(H,13,15)
InChIKeyPEMWBWQJUYQAPQ-UHFFFAOYSA-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_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-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 3904863) is 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2)nc1.
What is the InChIKey of 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is PEMWBWQJUYQAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-11-4-1-9(2-5-11)7-14-15-12-6-3-10(8-13-12)16(18)19/h1-8,17H,(H,13,15).
What are the key properties of 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
4-[[(5-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 4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3904863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).