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2-(Cyclopropylamino)nicotinonitrile - 98%, high purity , CAS No.52583-90-1
Discover 2-(Cyclopropylamino)nicotinonitrile by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(cyclopropylamino)nicotinonitrile | 52583-90-1 | 2-(cyclopropylamino)pyridine-3-carbonitrile | 2-Cyclopropylamino-nicotinonitrile | SCHEMBL4535545 | 2-Cyclopropylaminonicotinonitrile | DTXSID60467817 | NQVWMXLKPISDFN-UHFFFAOYSA-N | BBL012472 | MFCD09455268 | STK501320 | AKOS
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
3-pyridinecarbonitriles
Intermediate Tree Nodes
Not available
Direct Parent
3-pyridinecarbonitriles
Alternative Parents
Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-pyridinecarbonitrile - Aminopyridine - Imidolactam - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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
2-(cyclopropylamino)pyridine-3-carbonitrile
INCHI
InChI=1S/C9H9N3/c10-6-7-2-1-5-11-9(7)12-8-3-4-8/h1-2,5,8H,3-4H2,(H,11,12)
InChIKey
NQVWMXLKPISDFN-UHFFFAOYSA-N
Smiles
C1CC1NC2=C(C=CC=N2)C#N
Isomeric SMILES
C1CC1NC2=C(C=CC=N2)C#N
Molecular Weight
159.2
Reaxy-Rn
390119
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=390119&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
159.190 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
159.08 Da
Monoisotopic Mass
159.08 Da
Topological Polar Surface Area
48.700 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
201.000
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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