Name: 2-(Difluoromethoxy)pyridin-4-amine - ≥97% , CAS No.1211587-46-0
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Aminopyridines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Aminopyridines and derivatives
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.120 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	160.045 Da
Monoisotopic Mass	160.045 Da
Topological Polar Surface Area	48.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123.000
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

Solution Calculators

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Reviews

Canonical Smiles	C1=CN=C(C=C1N)OC(F)F
IUPAC Name	2-(difluoromethoxy)pyridin-4-amine
InChIKey	ANSJJZVEYXIANC-UHFFFAOYSA-N
INCHI	1S/C6H6F2N2O/c7-6(8)11-5-3-4(9)1-2-10-5/h1-3,6H,(H2,9,10)
Isomeric SMILES	C1=CN=C(C=C1N)OC(F)F
Molecular Weight	160.12
Reaxy-Rn	37869072
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37869072&ln=

2-(Difluoromethoxy)pyridin-4-amine - ≥97% , CAS No.1211587-46-0

Specifications