2-hydroxy-5-(4-nitrophenyl)benzoic acid

C13H9NO5 — CID 69207175

IUPAC2-hydroxy-5-(4-nitrophenyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C13H9NO5/c15-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)14(18)19/h1-7,15H,(H,16,17)
InChIKeyWSPSHCWJWCOSIU-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.67
Rot. Bonds3

About 2-hydroxy-5-(4-nitrophenyl)benzoic acid

2-hydroxy-5-(4-nitrophenyl)benzoic acid (PubChem CID 69207175) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-hydroxy-5-(4-nitrophenyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-nitrophenyl)benzoic acid
PubChem CID69207175
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name2-hydroxy-5-(4-nitrophenyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C13H9NO5/c15-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)14(18)19/h1-7,15H,(H,16,17)
InChIKeyWSPSHCWJWCOSIU-UHFFFAOYSA-N
XLogP2.67
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
CID 151278706
2-hydroxy-5-(4-nitrophenoxy)benzoic acid
CID 21492504
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
3-carboxy-4-hydroxybenzenesulfonate;(4-nitrophenyl)azanium;hydrate
CID 139086133
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
2-hydroxy-5-[4-(4-nitrobenzoyl)piperazin-1-yl]benzoic acid
CID 4740905
2-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methylamino]benzoic acid
CID 174571987
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
CID 151467946
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
bis(4-nitrophthalic acid);zirconium
CID 5176883
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-nitrophenyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(4-nitrophenyl)benzoic acid (CID 69207175) is 2-hydroxy-5-(4-nitrophenyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-nitrophenyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(4-nitrophenyl)benzoic acid is O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-nitrophenyl)benzoic acid?
The InChIKey is WSPSHCWJWCOSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-12-6-3-9(7-11(12)13(16)17)8-1-4-10(5-2-8)14(18)19/h1-7,15H,(H,16,17).
What are the key properties of 2-hydroxy-5-(4-nitrophenyl)benzoic acid?
2-hydroxy-5-(4-nitrophenyl)benzoic acid has a molecular weight of 259.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-nitrophenyl)benzoic acid is sourced from PubChem (CID 69207175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).