2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid

C19H14N2O5 — CID 135567041

IUPAC2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1
InChIInChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
InChIKeyMXKVATSZRALAIN-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.11
Rot. Bonds4

About 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid

2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid (PubChem CID 135567041) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
PubChem CID135567041
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1
InChIInChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26)
InChIKeyMXKVATSZRALAIN-UHFFFAOYSA-N
XLogP3.11
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid (CID 135567041) is 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(NC(=O)c3ccc(O)cc3)ccc2O)c1.
What is the InChIKey of 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid?
The InChIKey is MXKVATSZRALAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-14-4-1-11(2-5-14)18(24)21-13-3-6-17(23)15(10-13)16-9-12(19(25)26)7-8-20-16/h1-10,22-23H,(H,21,24)(H,25,26).
What are the key properties of 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid?
2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid has a molecular weight of 350.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[(4-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135567041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).