Methyl 5-methoxynicotinate

CAT: 0926-EBA68146Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-EBA68146Size:5 g

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CAS Number

29681-46-7

MDL Number

MFCD09265109

Smiles

COC1=CN=CC (=C1) C (=O) OC

Molecular Formula

CH3OC5H3NCOOCH3

Molecular Weight

167.16 g/mol

Controlled

Chemical Information

Methyl 5-methoxynicotinate

See also: Methyl 5-methoxy-3-pyridinecarboxylate (annotation moved to).

CAS Number	29681-46-7
PubChem CID	16218325
IUPAC Name	methyl 5-methoxypyridine-3-carboxylate
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	0.7
Topological Polar Surface Area	48.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

COC1=CN=CC(=C1)C(=O)OC

InChI

InChI=1S/C8H9NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h3-5H,1-2H3

InChIKey

JIRJAOSTLIQOCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29681-46-7

CID: 16218325

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XEA43351-01	Methyl 5-amino-2-methoxynicotinate
JCA23750	Methyl 5-Amino-6-methoxynicotinate
JQB73523-01	Methyl 2-Bromo-6-methoxynicotinate
GAC79436-01	Ethyl 2-amino-5-methoxynicotinate
EBA68139	Methyl 5-methoxypicolinate
SVB19255-01	Methyl 5-bromo-3-methoxypicolinate
FM142744-01	Methyl 3-methoxypicolinate
PAA98318-01	Methyl 3-methyl-5-oxohexanoate
HUA31123	Methyl 3-methyl-5-nitrobenzoate
FM168847-01	Methyl 5-methyl-2-hexenoate

Catalog	Name
OR302228-01	Methyl 5-methoxynicotinate
455716-01	Methyl 5-fluoro-6-methoxynicotinate
OR1060571-01	Methyl 6-amino-5-methoxynicotinate
OR1081713-01	Methyl 2-bromo-5-methoxynicotinate
OR303664	Methyl 5-chloro-6-methoxynicotinate
OR3356-01	Methyl 5-bromo-2-methoxynicotinate
OR1051663	Methyl 5-cyano-2-methoxynicotinate
OR46512-01	Methyl 6-chloro-5-methoxynicotinate
OR62054	Methyl 5-chloro-2-methoxynicotinate
PC1026488-01	Methyl 2-fluoro-5-methoxynicotinate