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2-Aminonicotinonitrile

CAT: 0127-OR8628-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
24517-64-4
Synonyms
2-Amino-3-cyanopyridine, 2-Aminopyridine-3-carbonitrile
MDL Number
MFCD00128867
Purity
=95%
Smiles
Nc1ncccc1C#N

Chemical Information

2-Amino-3-cyanopyridine

Used as a foundation for derivatives used in anti-cancer treatment

CAS Number24517-64-4
PubChem CID818259
IUPAC Name2-aminopyridine-3-carbonitrile
Molecular FormulaC6H5N3
Molecular Weight119.12
XLogP0.8
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity134
SMILES
C1=CC(=C(N=C1)N)C#N
InChI
InChI=1S/C6H5N3/c7-4-5-2-1-3-9-6(5)8/h1-3H,(H2,8,9)
InChIKey
YYXDQRRDNPRJFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-3-cyanopyridine
CAS: 24517-64-4
CID: 818259
Formula: C6H5N3
MW: 119.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight119.12
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass119.048347172
Monoisotopic Mass119.048347172
Topological Polar Surface Area62.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes