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2-Chloro-6-methylnicotinamide

CAT: 0013-GTR19252710-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252710-01Size:100 mg
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Description
2-Chloro-6-methylnicotinamide
CAS Number
54957-84-5
Smiles
CC1=NC (Cl) =C (C=C1) C (N) =O
Molecular Formula
C7H7ClN2O
Molecular Weight
170.596
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-6-methylpyridine-3-carboxamide
CAS Number54957-84-5
PubChem CID2799581
IUPAC Name2-chloro-6-methylpyridine-3-carboxamide
Molecular FormulaC7H7ClN2O
Molecular Weight170.59
XLogP1.1
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
CC1=NC(=C(C=C1)C(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3,(H2,9,11)
InChIKey
QFRWKKWOCPTEKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-6-methylpyridine-3-carboxamide
CAS: 54957-84-5
CID: 2799581
Formula: C7H7ClN2O
MW: 170.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass170.0246905
Monoisotopic Mass170.0246905
Topological Polar Surface Area56 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
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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