(4-nitrophenyl) 2-hydroxybenzoate

C13H9NO5 — CID 578045

IUPAC(4-nitrophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1O
InChIInChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H
InChIKeyXSTIAAYONYIWGB-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.52
Rot. Bonds3

About (4-nitrophenyl) 2-hydroxybenzoate

(4-nitrophenyl) 2-hydroxybenzoate (PubChem CID 578045) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is (4-nitrophenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(4-nitrophenyl) 2-hydroxybenzoate
PubChem CID578045
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name(4-nitrophenyl) 2-hydroxybenzoate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1O
InChIInChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H
InChIKeyXSTIAAYONYIWGB-UHFFFAOYSA-N
XLogP2.52
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 2-hydroxybenzoate?
The IUPAC name of (4-nitrophenyl) 2-hydroxybenzoate (CID 578045) is (4-nitrophenyl) 2-hydroxybenzoate.
What is the SMILES notation for (4-nitrophenyl) 2-hydroxybenzoate?
The canonical SMILES for (4-nitrophenyl) 2-hydroxybenzoate is O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1O.
What is the InChIKey of (4-nitrophenyl) 2-hydroxybenzoate?
The InChIKey is XSTIAAYONYIWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H.
What are the key properties of (4-nitrophenyl) 2-hydroxybenzoate?
(4-nitrophenyl) 2-hydroxybenzoate has a molecular weight of 259.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 2-hydroxybenzoate is sourced from PubChem (CID 578045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).