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3-fluoro-2-methoxy-pyridin-4-amine - 97%, high purity , CAS No.1228898-36-9
Basic Description
Synonyms
3-FLUORO-2-METHOXYPYRIDIN-4-AMINE | 1228898-36-9 | SCHEMBL3380754 | AB70892 | AT31696 | 4-AMINO-3-FLUORO-2-METHOXYPYRIDINE | EN300-698787
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
O-alkylpyrimidines
Alternative Parents
Polyhalopyridines Methylpyridines Alkyl aryl ethers 2-halopyridines Heteroaromatic compounds Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Azacyclic compounds Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-alkylpyrimidine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-alkylpyrimidines. These are compounds containing a pyrimidine , which is O-alkylated at one or more ring positions.
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
3-fluoro-2-methoxypyridin-4-amine
INCHI
InChI=1S/C6H7FN2O/c1-10-6-5(7)4(8)2-3-9-6/h2-3H,1H3,(H2,8,9)
InChIKey
PUIPEUWZNMJAPY-UHFFFAOYSA-N
Smiles
COC1=NC=CC(=C1F)N
Isomeric SMILES
COC1=NC=CC(=C1F)N
PubChem CID
68620708
Molecular Weight
142.13
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
142.130 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
142.054 Da
Monoisotopic Mass
142.054 Da
Topological Polar Surface Area
48.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
112.000
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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