(6-cloroimidazo[1,2-a]piridin-2-il)metanol - ≥95% , CAS No.1039416-36-8

CAS: 1039416-36-8 Cat. No.: C178971 Peso molecular: 182.6 Número EC: 997-929-5

GRADE & PURITY ≥95%

Synonyms

1039416-36-8|(6-chloroimidazo[1,2-a]pyridin-2-yl)methanol|6-Chloroimidazolo[1,2-a]pyridin-2-yl-methanol|{6-chloroimidazo[1,2-a]pyridin-2-yl}methanol|SCHEMBL9598420|DTXSID40599428|MFCD11840955|AKOS005071489|AD-0705|FT-0754880|EN300-1963896|A896333|J-501665

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

1039416-36-8 | (6-chloroimidazo[1, 2-a]pyridin-2-yl)methanol | 6-Chloroimidazolo[1, 2-a]pyridin-2-yl-methanol | {6-chloroimidazo[1, 2-a]pyridin-2-yl}methanol | SCHEMBL9598420 | DTXSID40599428 | MFCD11840955 | AKOS005071489 | AD-0705 | FT-0754880 | EN300-1963896 | A896333 | J-501665

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=NC(=CN2C=C1Cl)CO
• IUPAC Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methanol
• InChIKey: NBOXKWPAFWOANI-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClN2O/c9-6-1-2-8-10-7(5-12)4-11(8)3-6/h1-4,12H,5H2
• Isómeros SMILES: C1=CC2=NC(=CN2C=C1Cl)CO
• Peso molecular: 182.6
• Reaxy-Rn: 18431384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18431384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Pyridines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Aryl chloride - Aryl halide - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Primary alcohol - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 182.610 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.025 Da
• Monoisotopic Mass: 182.025 Da
• Topological Polar Surface Area: 37.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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