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

C14H9NO6 — CID 151278706

IUPAC2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H9NO6/c16-12-6-3-9(7-11(12)14(18)19)13(17)8-1-4-10(5-2-8)15(20)21/h1-7,16H,(H,18,19)
InChIKeyNXXKVSOAXHRYBP-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.23
Rot. Bonds4

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

2-hydroxy-5-(4-nitrobenzoyl)benzoic acid (PubChem CID 151278706) has the molecular formula C14H9NO6 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
PubChem CID151278706
Molecular FormulaC14H9NO6
Molecular Weight287.23 g/mol
Exact Mass287.04
IUPAC Name2-hydroxy-5-(4-nitrobenzoyl)benzoic acid
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C14H9NO6/c16-12-6-3-9(7-11(12)14(18)19)13(17)8-1-4-10(5-2-8)15(20)21/h1-7,16H,(H,18,19)
InChIKeyNXXKVSOAXHRYBP-UHFFFAOYSA-N
XLogP2.23
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
2-hydroxy-5-(4-nitrophenoxy)benzoic acid
CID 21492504
4-(4-nitrobenzoyl)benzoic acid;trioxochromium
CID 174849994
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
2-hydroxy-5-[4-(4-nitrobenzoyl)piperazin-1-yl]benzoic acid
CID 4740905
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
4-(4-nitrobenzoyl)benzoate
CID 6943506
3-carboxy-4-hydroxybenzenesulfonate;(4-nitrophenyl)azanium;hydrate
CID 139086133
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
4-(3-nitrobenzoyl)benzoic acid
CID 803392

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid (CID 151278706) is 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid is O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid?
The InChIKey is NXXKVSOAXHRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO6/c16-12-6-3-9(7-11(12)14(18)19)13(17)8-1-4-10(5-2-8)15(20)21/h1-7,16H,(H,18,19).
What are the key properties of 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid?
2-hydroxy-5-(4-nitrobenzoyl)benzoic acid has a molecular weight of 287.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-nitrobenzoyl)benzoic acid is sourced from PubChem (CID 151278706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).