2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid

C13H10N2O5 — CID 136903643

IUPAC2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C13H10N2O5/c16-8-1-2-10(17)9(6-8)12(18)15-11-5-7(13(19)20)3-4-14-11/h1-6,16-17H,(H,19,20)(H,14,15,18)
InChIKeyUUEYCHBKSADWQJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.44
Rot. Bonds3

About 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid

2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid (PubChem CID 136903643) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid
PubChem CID136903643
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C13H10N2O5/c16-8-1-2-10(17)9(6-8)12(18)15-11-5-7(13(19)20)3-4-14-11/h1-6,16-17H,(H,19,20)(H,14,15,18)
InChIKeyUUEYCHBKSADWQJ-UHFFFAOYSA-N
XLogP1.44
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylthiophene-3-carbonyl)amino]pyridine-4-carboxylic acid
CID 79802588
2-[(2,5-dibromobenzoyl)amino]pyridine-4-carboxylic acid
CID 114368080
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
2-[(3-bromo-4-methylbenzoyl)amino]pyridine-4-carboxylic acid
CID 81470848
2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxy-N-pyridin-3-ylbenzamide
CID 113347059
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid (CID 136903643) is 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC(=O)c2cc(O)ccc2O)c1.
What is the InChIKey of 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid?
The InChIKey is UUEYCHBKSADWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-8-1-2-10(17)9(6-8)12(18)15-11-5-7(13(19)20)3-4-14-11/h1-6,16-17H,(H,19,20)(H,14,15,18).
What are the key properties of 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid?
2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 136903643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).