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(5,6-Dimethoxypyridin-3-yl)methanol , CAS No.1138443-89-6
Discover (5,6-Dimethoxypyridin-3-yl)methanol by Aladdin Scientific in for only $605.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
SCHEMBL19330511 | AKOS006344566 | FT-0745845 | 1138443-89-6 | EN300-5236126 | H10093 | (5,6-Dimethoxypyridin-3-yl)methanol | (5,6-Dimethoxypyridin-3-yl)methanol, AldrichCPR | SB53353 | MFCD11857657 | DTXSID90673843 | BS-26156
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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
(5,6-dimethoxypyridin-3-yl)methanol
INCHI
InChI=1S/C8H11NO3/c1-11-7-3-6(5-10)4-9-8(7)12-2/h3-4,10H,5H2,1-2H3
InChIKey
KIVYXUFPTQJWKK-UHFFFAOYSA-N
Smiles
COC1=C(N=CC(=C1)CO)OC
Isomeric SMILES
COC1=C(N=CC(=C1)CO)OC
WGK Germany
3
Molecular Weight
169.18
Reaxy-Rn
31800110
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31800110&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
169.180 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
169.074 Da
Monoisotopic Mass
169.074 Da
Topological Polar Surface Area
51.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
131.000
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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