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Methyl 5-methylnicotinate

CAT: 1410-M13906-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M13906-01Size:1 Each
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Description
Used as pharmaceutical intermediates.
CAS Number
29681-45-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
151.16
Molecular Formula
C8H9NO2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Methyl 5-methylpyridine-3-carboxylate
CAS Number29681-45-6
PubChem CID256308
IUPAC Namemethyl 5-methylpyridine-3-carboxylate
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.1
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
CC1=CC(=CN=C1)C(=O)OC
InChI
InChI=1S/C8H9NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h3-5H,1-2H3
InChIKey
KQILMMLAGGFMCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-methylpyridine-3-carboxylate
CAS: 29681-45-6
CID: 256308
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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Alternative Products

CatalogName
T0548-01Methyl 5-methylnicotinate
JXB91379-01Methyl 6-amino-5-methylnicotinate
OR1096650Methyl 5-chloro-4-methylnicotinate
OR1083142Methyl 5-methoxy-4-methylnicotinate
OR1087021Methyl 6-isopropoxy-5-methylnicotinate
OR1069951-01Methyl 5-hydroxy-2-methylnicotinate
OR1048470-01Methyl 6-formyl-5-methylnicotinate
OR72977-01Methyl 2-bromo-5-methylnicotinate
OR1098965Methyl 6-bromo-5-methylnicotinate
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