2-(2-hydroxy-3-nitrophenyl)benzoic acid

C13H9NO5 — CID 150610038

IUPAC2-(2-hydroxy-3-nitrophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H9NO5/c15-12-9(6-3-7-11(12)14(18)19)8-4-1-2-5-10(8)13(16)17/h1-7,15H,(H,16,17)
InChIKeyITRNBZBTSYZSLT-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-hydroxy-3-nitrophenyl)benzoic acid

2-(2-hydroxy-3-nitrophenyl)benzoic acid (PubChem CID 150610038) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(2-hydroxy-3-nitrophenyl)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-nitrophenyl)benzoic acid
PubChem CID150610038
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name2-(2-hydroxy-3-nitrophenyl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C13H9NO5/c15-12-9(6-3-7-11(12)14(18)19)8-4-1-2-5-10(8)13(16)17/h1-7,15H,(H,16,17)
InChIKeyITRNBZBTSYZSLT-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

benzene;2-nitrobenzoic acid
CID 19891435
sodium;hydride;2-nitrobenzoic acid
CID 173210089
2,3-dinitrobenzoic acid;2-nitrobenzoic acid
CID 160869744
CID 70569621
CID 70569621
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-amino-3-[2-(2-nitrophenyl)ethyl]benzoic acid
CID 107367819
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
sodium 2-carboxy-3-nitrobenzoate
CID 70569623
CID 58418423
CID 58418423
2-bromobenzoic acid;2-nitrobenzoic acid
CID 67658620
2,3-dinitrobenzoic acid;pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 130229980
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-nitrophenyl)benzoic acid?
The IUPAC name of 2-(2-hydroxy-3-nitrophenyl)benzoic acid (CID 150610038) is 2-(2-hydroxy-3-nitrophenyl)benzoic acid.
What is the SMILES notation for 2-(2-hydroxy-3-nitrophenyl)benzoic acid?
The canonical SMILES for 2-(2-hydroxy-3-nitrophenyl)benzoic acid is O=C(O)c1ccccc1-c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-(2-hydroxy-3-nitrophenyl)benzoic acid?
The InChIKey is ITRNBZBTSYZSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-12-9(6-3-7-11(12)14(18)19)8-4-1-2-5-10(8)13(16)17/h1-7,15H,(H,16,17).
What are the key properties of 2-(2-hydroxy-3-nitrophenyl)benzoic acid?
2-(2-hydroxy-3-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-(2-hydroxy-3-nitrophenyl)benzoic acid is sourced from PubChem (CID 150610038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).