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3-Chloro-2-(3,5-dimethylpyrazol-1-yl)pyridine - 98%, high purity , CAS No.1150164-90-1
Basic Description
Synonyms
1150164-90-1 | 3-Chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine | 3-CHLORO-2-(3,5-DIMETHYLPYRAZOL-1-YL)PYRIDINE | SCHEMBL12528188 | DTXSID10674998 | AWB16490 | MFCD12026033 | AKOS013123843 | BS-19373 | CS-0211333 | A894014 | J-003175 | Pyridine, 3-chloro-2-(3,5-dimethyl-1H-pyra
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyrazolylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolylpyridines
Alternative Parents
Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-pyrazolylpyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
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
3-chloro-2-(3,5-dimethylpyrazol-1-yl)pyridine
INCHI
InChI=1S/C10H10ClN3/c1-7-6-8(2)14(13-7)10-9(11)4-3-5-12-10/h3-6H,1-2H3
InChIKey
FGOQNKQVWGUEGZ-UHFFFAOYSA-N
Smiles
CC1=CC(=NN1C2=C(C=CC=N2)Cl)C
Isomeric SMILES
CC1=CC(=NN1C2=C(C=CC=N2)Cl)C
Molecular Weight
207.7
Reaxy-Rn
46451354
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46451354&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
207.660 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
207.056 Da
Monoisotopic Mass
207.056 Da
Topological Polar Surface Area
30.700 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
200.000
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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