1-hydroxy-N-pyridin-2-yl-2-naphthamide - ≥97% , CAS No.5355-36-2

CAS: 5355-36-2 Cat. No.: H1040333 PubChem CID: 5303058

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=CC=N3
• IUPAC Name: 1-hydroxy-N-pyridin-2-ylnaphthalene-2-carboxamide
• InChIKey: AHDNTEHUSMILBP-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2O2/c19-15-12-6-2-1-5-11(12)8-9-13(15)16(20)18-14-7-3-4-10-17-14/h1-10,19H,(H,17,18,20)
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=CC=N3
• Alternate CAS: 5355-36-2
• PubChem CID: 5303058

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives Imidolactams Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalenecarboxamide - 1-naphthol - Salicylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 264.280 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 264.09 Da
• Monoisotopic Mass: 264.09 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 347.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1