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Isonicotinamide

CAT: 1489-I7860-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-I7860-02Size:100 g
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CAS Number
1453-82-3
Purity
0.98

Chemical Information

Isonicotinamide

Isonicotinamide is a pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid. It is functionally related to an isonicotinic acid.

CAS Number1453-82-3
PubChem CID15074
IUPAC Namepyridine-4-carboxamide
Molecular FormulaC6H6N2O
Molecular Weight122.12
XLogP-0.3
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity108
SMILES
C1=CN=CC=C1C(=O)N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
InChIKey
VFQXVTODMYMSMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isonicotinamide
CAS: 1453-82-3
CID: 15074
Formula: C6H6N2O
MW: 122.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass122.048012819
Monoisotopic Mass122.048012819
Topological Polar Surface Area56 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
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

Alternative Products

CatalogName
T0552Isonicotinamide
HY-W012843R-01Isonicotinamide (Standard)
TRC-C240800-50MGIvosidenib Isonicotinamide
HY-W012843S-01Isonicotinamide-d4
sc-269880N-Phenyl-isonicotinamide
OR302556-012-Amino-isonicotinamide
sc-4979692-Ethyl Isonicotinamide
OR1057067-012- (Methylsulfonyl) isonicotinamide
sc-329251N- (3-Acetylphenyl) isonicotinamide

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