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6-methyl-5-nitroisoquinoline - 97%, high purity , CAS No.188121-31-5
Discover 6-methyl-5-nitroisoquinoline by Aladdin Scientific in 97% for only $66.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-METHYL-5-NITROISOQUINOLINE | 188121-31-5 | Isoquinoline, 6-methyl-5-nitro- | MFCD11848649 | SCHEMBL1982292 | YYPKZGWCMPOFRV-UHFFFAOYSA-N | DTXSID701309107 | AKOS022880273 | PB31608 | SB21709 | AS-34803 | SY060938 | CS-0050164 | EN300-133041 | Z1255424584
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Nitroaromatic compounds Pyridines and derivatives Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Nitroaromatic compound - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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
6-methyl-5-nitroisoquinoline
INCHI
InChI=1S/C10H8N2O2/c1-7-2-3-8-6-11-5-4-9(8)10(7)12(13)14/h2-6H,1H3
InChIKey
YYPKZGWCMPOFRV-UHFFFAOYSA-N
Smiles
CC1=C(C2=C(C=C1)C=NC=C2)[N+](=O)[O-]
Isomeric SMILES
CC1=C(C2=C(C=C1)C=NC=C2)[N+](=O)[O-]
Molecular Weight
188.186
Reaxy-Rn
10247651
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10247651&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
188.180 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
188.059 Da
Monoisotopic Mass
188.059 Da
Topological Polar Surface Area
58.700 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
227.000
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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