6-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid - ≥98% , CAS No.944896-42-8

CAS: 944896-42-8 Cat. No.: B188524 Molecular Weight: 241 EC Number: 804-630-4

GRADE & PURITY ≥98%

Synonyms

6-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid, AldrichCPR | EN300-207850 | MFCD10698063 | 6-Bromoimidazo[1,2-a]pyridine-3-carboxylicacid | AKOS015834691 | 6-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid | SCHEMBL1649588 | FT-0699250 | PB32887 | SY028324

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

6-Bromoimidazo[1, 2-a]pyridine-3-carboxylic acid, AldrichCPR | EN300-207850 | MFCD10698063 | 6-Bromoimidazo[1, 2-a]pyridine-3-carboxylicacid | AKOS015834691 | 6-Bromoimidazo[1, 2-a]pyridine-3-carboxylic acid | SCHEMBL1649588 | FT-0699250 | PB32887 | SY028324

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769132
• Canonical Smiles: C1=CC2=NC=C(N2C=C1Br)C(=O)O
• IUPAC Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid
• InChIKey: SDKJLYHPCBMDAD-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrN2O2/c9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h1-4H,(H,12,13)
• Isomeric SMILES: C1=CC2=NC=C(N2C=C1Br)C(=O)O
• Molecular Weight: 241
• Reaxy-Rn: 23288064
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23288064&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Carbonylimidazoles Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Imidazole-4-carbonyl group - Aryl bromide - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 241.040 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.953 Da
• Monoisotopic Mass: 239.953 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 224.000
• 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