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2-Cyclopropylmethoxy-3-iodo-pyridine - 95%, high purity , CAS No.766557-62-4
Basic Description
Synonyms
766557-62-4 | 2-Cyclopropylmethoxy-3-iodo-pyridine | 2-(cyclopropylmethoxy)-3-iodopyridine | 2-CYCLOPROPYLMETHOXY-3-IODOPYRIDINE | SCHEMBL760442 | DTXSID60590331 | ILSBVXOYWKUWLJ-UHFFFAOYSA-N | MFCD06659010 | AKOS015840788 | AB25870 | AS-81333 | 2-(cyclopropylmethoxy)-3-iodany
Specifications & Purity
≥95%
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 Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - 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
Pubchem Sid
504768606
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504768606
IUPAC Name
2-(cyclopropylmethoxy)-3-iodopyridine
INCHI
InChI=1S/C9H10INO/c10-8-2-1-5-11-9(8)12-6-7-3-4-7/h1-2,5,7H,3-4,6H2
InChIKey
ILSBVXOYWKUWLJ-UHFFFAOYSA-N
Smiles
C1CC1COC2=C(C=CC=N2)I
Isomeric SMILES
C1CC1COC2=C(C=CC=N2)I
Molecular Weight
275.1
Reaxy-Rn
31921754
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31921754&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Molecular Weight
275.090 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
274.981 Da
Monoisotopic Mass
274.981 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
149.000
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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D2108176