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2-Chloro-5-phenylpyrazine , CAS No.25844-73-9
Basic Description
Synonyms
2-chloro-5-phenylpyrazine | 25844-73-9 | 2-Chloro-5-phenyl-pyrazine | MFCD03268585 | 2-chloro-5--phenylpyrazine | SCHEMBL3633100 | DTXSID60361245 | IKWXPYFPNVAWJY-UHFFFAOYSA-N | BBL101037 | STL554831 | AKOS005255996 | 2-Chloro-5-phenylpyrazine, AldrichCPR | AT31228 | MS-20135 | FT-0
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazines
Alternative Parents
Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenoid - Pyrazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
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
2-chloro-5-phenylpyrazine
INCHI
InChI=1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey
IKWXPYFPNVAWJY-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=CN=C(C=N2)Cl
Isomeric SMILES
C1=CC=C(C=C1)C2=CN=C(C=N2)Cl
Molecular Weight
190.63
Reaxy-Rn
638526
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638526&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
190.630 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
190.03 Da
Monoisotopic Mass
190.03 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
157.000
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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