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2-Methyl Nicotinamide

CAT: 1596-AR-N08657-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08657-01Size:10 Units
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CAS Number
58539-65-4
Molecular Formula
C11H11D7N2O2
Molecular Weight
136.15
API Name
Nicotinic acid

Chemical Information

2-Methylnicotinamide

2-methylnicotinamide is a pyridinecarboxamide that is nicotinamide substituted by a methyl group at C-2. It has a role as a metabolite. It is functionally related to a nicotinamide.

CAS Number58539-65-4
PubChem CID12243705
IUPAC Name2-methylpyridine-3-carboxamide
Molecular FormulaC7H8N2O
Molecular Weight136.15
XLogP0.1
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
CC1=C(C=CC=N1)C(=O)N
InChI
InChI=1S/C7H8N2O/c1-5-6(7(8)10)3-2-4-9-5/h2-4H,1H3,(H2,8,10)
InChIKey
JRYYVMDEUJQWRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylnicotinamide
CAS: 58539-65-4
CID: 12243705
Formula: C7H8N2O
MW: 136.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.063662883
Monoisotopic Mass136.063662883
Topological Polar Surface Area56 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
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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PC1017993-012-Chloro-N-methyl-6- (trifluoromethyl) nicotinamide
PC510019-012-Hydroxy-4-methyl-6- (trifluoromethyl) nicotinamide
PC1023880-01N-methyl-4- (trifluoromethyl) nicotinamide
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