4-chloro-6-fluoropyrido[3,4-d]pyrimidine - ≥97% , CAS No.175357-98-9

CAS: 175357-98-9 Cat. No.: C630303 Molecular Weight: 183.57 PubChem CID: 10679041

GRADE & PURITY ≥97%

Synonyms

A1-01965 | Pyrido[3,4-d]pyrimidine, 4-chloro-6-fluoro- | 4-chloro-6-fluoro-pyrido[3,4-d]pyrimidine | 4-chloro-6-fluoropyrido-[3,4-d]pyrimidine | 4-CHLORO-6-FLUOROPYRIDO[3,4-D]PYRIMIDINE | 4-chloro-6-fluoropyrido[3,4-d]-pyrimidine | C7H3ClFN3 | MFCD0903787

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A1-01965 | Pyrido[3, 4-d]pyrimidine, 4-chloro-6-fluoro- | 4-chloro-6-fluoro-pyrido[3, 4-d]pyrimidine | 4-chloro-6-fluoropyrido-[3, 4-d]pyrimidine | 4-CHLORO-6-FLUOROPYRIDO[3, 4-D]PYRIMIDINE | 4-chloro-6-fluoropyrido[3, 4-d]-pyrimidine | C7H3ClFN3 | MFCD0903787

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Desiccated

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=C2C(=CN=C1F)N=CN=C2Cl
• IUPAC Name: 4-chloro-6-fluoropyrido[3,4-d]pyrimidine
• InChIKey: MGWFUQALPUPAER-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClFN3/c8-7-4-1-6(9)10-2-5(4)11-3-12-7/h1-3H
• Isomeric SMILES: C1=C2C(=CN=C1F)N=CN=C2Cl
• Alternate CAS: 175357-98-9
• PubChem CID: 10679041
• Molecular Weight: 183.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines
      • Subclass Pyrido[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Pyrido[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[3,4-d]pyrimidines
• Alternative Parents: Halopyrimidines 2-halopyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[3,4-d]pyrimidine - 2-halopyridine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Pyridine - Heteroaromatic compound - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 183.570 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 183 Da
• Monoisotopic Mass: 183 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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