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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Related Compounds

GR-55562
CID 128018
2-{3-[4-(5-Hydroxypyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11617480
2-[5-(2-Methoxyethanoylamino)-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567037
2-[5-[(5-Methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
CID 135567038
2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567042
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
4-hydroxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
CID 89642036
Casein kinase 1|A-IN-10
CID 5442100
2-(5-Cyano-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567036
2-(5-Azanyl-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567039
2-(5-Acetamido-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567040
5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(2-pyridin-2-yl-ethyl)-benzamide
CID 10499929

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).