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4-(3-Methoxypyridin-2-yl)benzoic acid - 98%, high purity , CAS No.849757-80-8
Discover 4-(3-Methoxypyridin-2-yl)benzoic acid by Aladdin Scientific in 98% for only $1,683.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(3-Methoxypyridin-2-yl)benzoic acid | 849757-80-8 | Benzoic acid, 4-(3-methoxy-2-pyridinyl)- | 4-(3-METHOXY(PYRIDIN-2-YL))BENZOIC ACID | SCHEMBL2040633 | DTXSID30699148 | UPPWELHQGMFLTO-UHFFFAOYSA-N | ZIB75780 | MFCD16877924 | 4-(3-Methoxypyridin-2-yl)benzoicacid | AKOS015
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Benzoic acids Benzoyl derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN 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
4-(3-methoxypyridin-2-yl)benzoic acid
INCHI
InChI=1S/C13H11NO3/c1-17-11-3-2-8-14-12(11)9-4-6-10(7-5-9)13(15)16/h2-8H,1H3,(H,15,16)
InChIKey
UPPWELHQGMFLTO-UHFFFAOYSA-N
Smiles
COC1=C(N=CC=C1)C2=CC=C(C=C2)C(=O)O
Isomeric SMILES
COC1=C(N=CC=C1)C2=CC=C(C=C2)C(=O)O
Molecular Weight
229.2
Reaxy-Rn
18633486
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18633486&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.230 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
229.074 Da
Monoisotopic Mass
229.074 Da
Topological Polar Surface Area
59.400 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
261.000
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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