4-Chloropyrido[2,3-d]pyrimidine - ≥97% , CAS No.28732-79-8

CAS: 28732-79-8 Cat. No.: C176017 Molecular Weight: 165.58 EC Number: 825-607-5

GRADE & PURITY ≥97%

Synonyms

AKOS002665706 | Pyrido[2,3-d]pyrimidine, 4-chloro- | 4-chloranylpyrido[2,3-d]pyrimidine | Z255149910 | 4-Chloro-pyrido[2,3-d]pyrimidine | 4-chloropyrido-[2,3-d]pyrimidine | 4-Chloropyrido[2,3-d]pyrimidine | SCHEMBL1065478 | BS-13475 | AMY13896 | DTXSID903

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS002665706 | Pyrido[2, 3-d]pyrimidine, 4-chloro- | 4-chloranylpyrido[2, 3-d]pyrimidine | Z255149910 | 4-Chloro-pyrido[2, 3-d]pyrimidine | 4-chloropyrido-[2, 3-d]pyrimidine | 4-Chloropyrido[2, 3-d]pyrimidine | SCHEMBL1065478 | BS-13475 | AMY13896 | DTXSID903

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(N=C1)N=CN=C2Cl
• IUPAC Name: 4-chloropyrido[2,3-d]pyrimidine
• InChIKey: HJBCFHXEOPQFGF-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClN3/c8-6-5-2-1-3-9-7(5)11-4-10-6/h1-4H
• Isomeric SMILES: C1=CC2=C(N=C1)N=CN=C2Cl
• Molecular Weight: 165.58
• Reaxy-Rn: 125683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines
      • Subclass Pyrido[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Pyrido[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[2,3-d]pyrimidines
• Alternative Parents: Halopyrimidines Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[2,3-d]pyrimidine - Halopyrimidine - Pyrimidine - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
• 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: 165.580 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.009 Da
• Monoisotopic Mass: 165.009 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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