6-(2-(tert-Butoxycarbonyl)hydrazinyl)nicotinic acid - ≥95% , CAS No.133081-25-1

CAS: 133081-25-1 Cat. No.: T190584 Molecular Weight: 253.25 EC Number: 858-972-4 PubChem CID: 11311327

GRADE & PURITY ≥95%

Synonyms

A2825 | FT-0649717 | SCHEMBL22769267 | 6-Boc-Hydrazynonicotinic acid | 6-(2-boc-hydrazinyl)nicotinic acid | 6-(2-Boc-hydrazino)nicotinic Acid | DS-11139 | 6-[2-(tert-Butoxycarbonyl)hydrazinyl]nicotinic acid | SY107532 | 6-Boc-hydrazinopyridine-3-carboxyli

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A2825 | FT-0649717 | SCHEMBL22769267 | 6-Boc-Hydrazynonicotinic acid | 6-(2-boc-hydrazinyl)nicotinic acid | 6-(2-Boc-hydrazino)nicotinic Acid | DS-11139 | 6-[2-(tert-Butoxycarbonyl)hydrazinyl]nicotinic acid | SY107532 | 6-Boc-hydrazinopyridine-3-carboxyli

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766281
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766281
• Canonical Smiles: CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)O
• IUPAC Name: 6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carboxylic acid
• InChIKey: DBNGJNCAXKNLLQ-UHFFFAOYSA-N
• INCHI: 1S/C11H15N3O4/c1-11(2,3)18-10(17)14-13-8-5-4-7(6-12-8)9(15)16/h4-6H,1-3H3,(H,12,13)(H,14,17)(H,15,16)
• Isomeric SMILES: CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)O
• PubChem CID: 11311327
• Molecular Weight: 253.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Imidolactams Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Imidolactam - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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: 253.250 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 253.106 Da
• Monoisotopic Mass: 253.106 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 314.000
• 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