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2-Chloro-3-methylisonicotinamide

CAT: 0127-OR1057840-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057840-01Size:100 mg
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CAS Number
1823365-77-0
Purity
97%
Smiles
O=C(N)C1=CC=NC(Cl)=C1C

Chemical Information

2-Chloro-3-methylisonicotinamide
CAS Number1823365-77-0
PubChem CID121231978
IUPAC Name2-chloro-3-methylpyridine-4-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=C(C=CN=C1Cl)C(=O)N
InChI
InChI=1S/C7H7ClN2O/c1-4-5(7(9)11)2-3-10-6(4)8/h2-3H,1H3,(H2,9,11)
InChIKey
ADQIRGALZLZYBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-methylisonicotinamide
CAS: 1823365-77-0
CID: 121231978
Formula: C7H7ClN2O
MW: 170.59
Interactive 3D Structure
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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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