1-hydroxy-4-nitro-N-phenylpyridin-2-imine

C11H9N3O3 — CID 12577442

IUPAC1-hydroxy-4-nitro-N-phenylpyridin-2-imine
SMILESO=[N+]([O-])c1ccn(O)/c(=N/c2ccccc2)c1
InChIInChI=1S/C11H9N3O3/c15-13-7-6-10(14(16)17)8-11(13)12-9-4-2-1-3-5-9/h1-8,15H/b12-11+
InChIKeyHHYDXEINUGEYHR-VAWYXSNFSA-N
MW231.21 g/mol
LogP1.87
Rot. Bonds2

About 1-hydroxy-4-nitro-N-phenylpyridin-2-imine

1-hydroxy-4-nitro-N-phenylpyridin-2-imine (PubChem CID 12577442) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-hydroxy-4-nitro-N-phenylpyridin-2-imine.

Molecular Properties

Compound Name1-hydroxy-4-nitro-N-phenylpyridin-2-imine
PubChem CID12577442
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name1-hydroxy-4-nitro-N-phenylpyridin-2-imine
SMILESO=[N+]([O-])c1ccn(O)/c(=N/c2ccccc2)c1
InChIInChI=1S/C11H9N3O3/c15-13-7-6-10(14(16)17)8-11(13)12-9-4-2-1-3-5-9/h1-8,15H/b12-11+
InChIKeyHHYDXEINUGEYHR-VAWYXSNFSA-N
XLogP1.87
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-hydroxy-N-phenylpyridin-2-imine
CID 67995848
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-nitro-N-phenylpyridin-2-imine?
The IUPAC name of 1-hydroxy-4-nitro-N-phenylpyridin-2-imine (CID 12577442) is 1-hydroxy-4-nitro-N-phenylpyridin-2-imine.
What is the SMILES notation for 1-hydroxy-4-nitro-N-phenylpyridin-2-imine?
The canonical SMILES for 1-hydroxy-4-nitro-N-phenylpyridin-2-imine is O=[N+]([O-])c1ccn(O)/c(=N/c2ccccc2)c1.
What is the InChIKey of 1-hydroxy-4-nitro-N-phenylpyridin-2-imine?
The InChIKey is HHYDXEINUGEYHR-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-13-7-6-10(14(16)17)8-11(13)12-9-4-2-1-3-5-9/h1-8,15H/b12-11+.
What are the key properties of 1-hydroxy-4-nitro-N-phenylpyridin-2-imine?
1-hydroxy-4-nitro-N-phenylpyridin-2-imine has a molecular weight of 231.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-nitro-N-phenylpyridin-2-imine is sourced from PubChem (CID 12577442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).