5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid

C14H10N2O7 — CID 156760584

IUPAC5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cc(O)cc(C(=O)O)c2O)c1
InChIInChI=1S/C14H10N2O7/c17-8-2-9(11(18)10(3-8)14(22)23)12(19)16-7-1-6(13(20)21)4-15-5-7/h1-5,17-18H,(H,16,19)(H,20,21)(H,22,23)
InChIKeyNLNCZPXFLFFXAK-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.14
Rot. Bonds4

About 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid

5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 156760584) has the molecular formula C14H10N2O7 and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID156760584
Molecular FormulaC14H10N2O7
Molecular Weight318.24 g/mol
Exact Mass318.05
IUPAC Name5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cc(O)cc(C(=O)O)c2O)c1
InChIInChI=1S/C14H10N2O7/c17-8-2-9(11(18)10(3-8)14(22)23)12(19)16-7-1-6(13(20)21)4-15-5-7/h1-5,17-18H,(H,16,19)(H,20,21)(H,22,23)
InChIKeyNLNCZPXFLFFXAK-UHFFFAOYSA-N
XLogP1.14
TPSA157.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 156760724
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 79802054
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114019626
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
CID 63154178
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
4-[[3-[(4-carboxy-3-hydroxyphenyl)carbamoyl]-2,5-dihydroxybenzoyl]amino]-2-hydroxybenzoic acid
CID 156760534
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid
CID 156760686

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid (CID 156760584) is 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2cc(O)cc(C(=O)O)c2O)c1.
What is the InChIKey of 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is NLNCZPXFLFFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O7/c17-8-2-9(11(18)10(3-8)14(22)23)12(19)16-7-1-6(13(20)21)4-15-5-7/h1-5,17-18H,(H,16,19)(H,20,21)(H,22,23).
What are the key properties of 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid?
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 318.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 156760584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).