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3-Aminoisonicotinamide

CAT: 0024-sc-276040Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-276040Size:1 g
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CAS Number
64188-97-2

Chemical Information

3-Aminoisonicotinamide
CAS Number64188-97-2
PubChem CID10749239
IUPAC Name3-aminopyridine-4-carboxamide
Molecular FormulaC6H7N3O
Molecular Weight137.14
XLogP-0.4
Topological Polar Surface Area82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity137
SMILES
C1=CN=CC(=C1C(=O)N)N
InChI
InChI=1S/C6H7N3O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,7H2,(H2,8,10)
InChIKey
MRZUGOPPUMNHGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminoisonicotinamide
CAS: 64188-97-2
CID: 10749239
Formula: C6H7N3O
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass137.058911855
Monoisotopic Mass137.058911855
Topological Polar Surface Area82 Ų
Heavy Atom Count10
Formal Charge0
Complexity137
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

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