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6-Chloro-4-methoxynicotinamide

CAT: 0572-TRC-C372298-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C372298-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1312118-17-4
Hazard Statement
No Data Available
Smiles
COc1cc(Cl)ncc1C(=O)N
Molecular Formula
C7 H7 Cl N2 O2
Molecular Weight
186.596
InChI
InChI=1S/C7H7ClN2O2/c1-12-5-2-6(8)10-3-4(5)7(9)11/h2-3H,1H3,(H2,9,11)
Additionnal Information
IUPAC name: 6-chloro-4-methoxypyridine-3-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

6-Chloro-4-methoxypyridine-3-carboxamide
CAS Number1312118-17-4
PubChem CID56773831
IUPAC Name6-chloro-4-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=CC(=NC=C1C(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O2/c1-12-5-2-6(8)10-3-4(5)7(9)11/h2-3H,1H3,(H2,9,11)
InChIKey
NUSQHCKRZHXZCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-4-methoxypyridine-3-carboxamide
CAS: 1312118-17-4
CID: 56773831
Formula: C7H7ClN2O2
MW: 186.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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