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4-chloro-7-methylpyrido[2,3-d]pyrimidine - 97%, high purity , CAS No.117890-81-0
Basic Description
Synonyms
117890-81-0 | 4-CHLORO-7-METHYLPYRIDO[2,3-D]PYRIMIDINE | 4-Chloro-7-methyl-pyrido[2,3-d]pyrimidine | SCHEMBL2797267 | DTXSID80733804 | WIFRGDCMHQEADW-UHFFFAOYSA-N | MFCD19690386 | AKOS022707372 | PB33473 | AS-41558 | CS-0050890 | FT-0739060 | A22278
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Methylpyridines Halopyrimidines 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 - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen 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.
Names and Identifiers
IUPAC Name
4-chloro-7-methylpyrido[2,3-d]pyrimidine
INCHI
InChI=1S/C8H6ClN3/c1-5-2-3-6-7(9)10-4-11-8(6)12-5/h2-4H,1H3
InChIKey
WIFRGDCMHQEADW-UHFFFAOYSA-N
Smiles
CC1=NC2=C(C=C1)C(=NC=N2)Cl
Isomeric SMILES
CC1=NC2=C(C=C1)C(=NC=N2)Cl
Molecular Weight
179.61
Reaxy-Rn
18540429
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18540429&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.600 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
179.025 Da
Monoisotopic Mass
179.025 Da
Topological Polar Surface Area
38.700 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
164.000
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
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