5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid

C14H11NO6 — CID 107721538

IUPAC5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(O)ccc2O)ccc1O
InChIInChI=1S/C14H11NO6/c16-8-2-4-11(17)9(6-8)13(19)15-7-1-3-12(18)10(5-7)14(20)21/h1-6,16-18H,(H,15,19)(H,20,21)
InChIKeyBWTFREMMRADWLF-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.75
Rot. Bonds3

About 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid

5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 107721538) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID107721538
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(O)ccc2O)ccc1O
InChIInChI=1S/C14H11NO6/c16-8-2-4-11(17)9(6-8)13(19)15-7-1-3-12(18)10(5-7)14(20)21/h1-6,16-18H,(H,15,19)(H,20,21)
InChIKeyBWTFREMMRADWLF-UHFFFAOYSA-N
XLogP1.75
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
N-(3-amino-4-chlorophenyl)-2,5-dihydroxybenzamide
CID 107721355
N-(3,5-dichlorophenyl)-2,5-dihydroxybenzamide
CID 107722277
2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid
CID 174687194
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
2,5-dihydroxy-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 107724903
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid (CID 107721538) is 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2cc(O)ccc2O)ccc1O.
What is the InChIKey of 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is BWTFREMMRADWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c16-8-2-4-11(17)9(6-8)13(19)15-7-1-3-12(18)10(5-7)14(20)21/h1-6,16-18H,(H,15,19)(H,20,21).
What are the key properties of 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid?
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 289.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107721538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).