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6-Chloro-5-methoxynicotinamide

CAT: 0127-OR1056196-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1056196-01Size:100 mg
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CAS Number
1881320-69-9
MDL Number
MFCD28657055
Purity
97%
Smiles
O=C(C1=CC(OC)=C(Cl)N=C1)N

Chemical Information

6-Chloro-5-methoxypyridine-3-carboxamide
CAS Number1881320-69-9
PubChem CID91729974
IUPAC Name6-chloro-5-methoxypyridine-3-carboxamide
Molecular FormulaC7H7ClN2O2
Molecular Weight186.59
XLogP0.7
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity177
SMILES
COC1=C(N=CC(=C1)C(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-12-5-2-4(7(9)11)3-10-6(5)8/h2-3H,1H3,(H2,9,11)
InChIKey
GEDDULRRCOXEQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-5-methoxypyridine-3-carboxamide
CAS: 1881320-69-9
CID: 91729974
Formula: C7H7ClN2O2
MW: 186.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.59
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass186.0196052
Monoisotopic Mass186.0196052
Topological Polar Surface Area65.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity177
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