Methyl 5-methoxypicolinate

CAT: 0926-EBA68139Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-EBA68139Size:10 g

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CAS Number

29681-39-8

MDL Number

MFCD11975090

Smiles

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

Molecular Formula

C8H9NO3

Molecular Weight

167.16 g/mol

Controlled

Chemical Information

Methyl 5-methoxypyridine-2-carboxylate

CAS Number	29681-39-8
PubChem CID	14282457
IUPAC Name	methyl 5-methoxypyridine-2-carboxylate
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1
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=C(C=C1)C(=O)OC

InChI

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

InChIKey

NPTCNXIVWLMWQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29681-39-8

CID: 14282457

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	1
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
SVB19255-01	Methyl 5-bromo-3-methoxypicolinate
FM142744-01	Methyl 3-methoxypicolinate
EBA68146	Methyl 5-methoxynicotinate
XEA43351-01	Methyl 5-amino-2-methoxynicotinate
JCA23750	Methyl 5-Amino-6-methoxynicotinate
PAA98318-01	Methyl 3-methyl-5-oxohexanoate
HUA31123	Methyl 3-methyl-5-nitrobenzoate
FM168847-01	Methyl 5-methyl-2-hexenoate
JBA55337-01	Methyl 5-methyl-4-oxohexanoate
NBA94061	Methyl 5-acetylnicotinate

Catalog	Name
TRC-M296803-1G	Methyl 5-Bromo-4-methoxypicolinate
OR1070770-01	Methyl 5-hydroxy-6-methoxypicolinate
PC1002300-01	Methyl 3-fluoro-5-methoxypicolinate
OR73714-01	Methyl 6-bromo-5-methoxypicolinate
OR79703-01	Methyl 5-bromo-6-methoxypicolinate
sc-328792A	Methyl 5-bromo-3-methoxypicolinate
JH919539	Methyl 5-fluoro-4-methoxypicolinate
OR1007086-01	Methyl 5-amino-6-methoxypicolinate
OR1068265-01	Methyl 5-formyl-6-methoxypicolinate
OR1081134	Methyl 5-chloro-6-methoxypicolinate