2-Methoxy-4-methylnicotinic acid

CAT: 0127-OR1081081-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081081-01Size:250 mg

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CAS Number

1211516-03-8

MDL Number

MFCD16611507

Purity

95%

Smiles

C1cnc (c (c1C) C (=O) O) OC

Chemical Information

2-Methoxy-4-methylpyridine-3-carboxylic acid

CAS Number	1211516-03-8
PubChem CID	58167070
IUPAC Name	2-methoxy-4-methylpyridine-3-carboxylic acid
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

CC1=C(C(=NC=C1)OC)C(=O)O

InChI

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

InChIKey

JSJYKCPZTCZTII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1211516-03-8

CID: 58167070

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	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
OR302616	5-Methoxy-4-methylnicotinic acid
OR60139-01	6-Methoxy-2-methylnicotinic acid
OR85554-01	2-Methoxy-5-methylnicotinic acid
OR46123	2-Methoxy-6-methylnicotinic acid
OR1067945-01	5-Methoxy-6-methylnicotinic acid
OR9450-01	4-Methylnicotinic acid
OR1095945-01	6-Methoxy-5-methylnicotinic acid
OR525675-01	5-Bromo-2-methoxy-6-methylnicotinic acid
OR471581-01	2-Amino-4-methylnicotinic acid
OR300502-01	2-Hydroxy-4-methylnicotinic acid

Catalog	Name
CZB59472-01	2-Methoxy-5-methylnicotinic acid
LYB53194	6-Methoxy-5-Methylnicotinic Acid
23142543-5g	4-Methylnicotinic acid
VXC68727-01	5-Bromo-6-methoxy-4-methylnicotinic acid
AR-N08656-01	2-Methylnicotinic Acid
GTR19251622-01	4-Methylnicotinic acid hydrochloride
FD142612	4,6-Dichloro-2-methylnicotinic acid
FM63411-01	2-Methylnicotinic acid imidazolide
DVA55550	6-Chloro-4-methylnicotinic acid
sc-335020	2-[4- (cyanomethyl) phenoxy]-6-methylnicotinic acid