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5-amino-6-methylpyridine-3-carboxylic acid - 97%, high purity , CAS No.91978-75-5
Basic Description
Synonyms
91978-75-5 | 5-AMINO-6-METHYLPYRIDINE-3-CARBOXYLIC ACID | 3-AMINO-2-METHYLPYRIDINE-5-CARBOXYLIC ACID | 5-AMINO-6-METHYLNICOTINIC ACID | MFCD18819069 | 3-Pyridinecarboxylicacid, 5-amino-6-methyl- | SCHEMBL7356328 | 5-amino-6-methyl-nicotinic acid | DTXSID60621432 | 3-aminop
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
Methylpyridines Aminopyridines and derivatives Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid - Aminopyridine - Methylpyridine - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
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
5-amino-6-methylpyridine-3-carboxylic acid
INCHI
InChI=1S/C7H8N2O2/c1-4-6(8)2-5(3-9-4)7(10)11/h2-3H,8H2,1H3,(H,10,11)
InChIKey
KDQUXBVINRXSSD-UHFFFAOYSA-N
Smiles
CC1=C(C=C(C=N1)C(=O)O)N
Isomeric SMILES
CC1=C(C=C(C=N1)C(=O)O)N
Molecular Weight
152.153
Reaxy-Rn
387439
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=387439&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
152.150 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
152.059 Da
Monoisotopic Mass
152.059 Da
Topological Polar Surface Area
76.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
161.000
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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