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1,5-Naphthyridine-3-carboxylic acid - 95%, high purity , CAS No.90418-64-7
Basic Description
Synonyms
1,5-Naphthyridine-3-carboxylic acid | 90418-64-7 | SCHEMBL626577 | F1957-0070 | DTXSID80595388 | 1,5-Naphthyridine-3-carboxylicacid | MFCD13179643 | AKOS005208395 | AB66652 | AS-62093 | CS-0155782 | FT-0682869 | EN300-132663 | 1,5-Naphthyridine-3-carboxylic acid, AldrichCPR | A91663
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Naphthyridines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthyridine carboxylic acids and derivatives
Alternative Parents
Pyridinecarboxylic acids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Pyridine - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears 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
Pubchem Sid
488199644
IUPAC Name
1,5-naphthyridine-3-carboxylic acid
INCHI
InChI=1S/C9H6N2O2/c12-9(13)6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,(H,12,13)
InChIKey
BWIFRKKQXKCKQQ-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=C(C=N2)C(=O)O)N=C1
Isomeric SMILES
C1=CC2=C(C=C(C=N2)C(=O)O)N=C1
Molecular Weight
174.2
Reaxy-Rn
512053
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=512053&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
174.160 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
174.043 Da
Monoisotopic Mass
174.043 Da
Topological Polar Surface Area
63.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
208.000
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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