6-Methoxy-3-methylpicolinic acid

CAT: 0926-LYB57902Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-LYB57902Size:100 mg

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CAS Number

1211579-02-0

MDL Number

MFCD18257487

Smiles

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

Molecular Formula

C8H9NO3

Molecular Weight

167.16 g/mol

Controlled

Chemical Information

6-Methoxy-3-methylpyridine-2-carboxylic acid

CAS Number	1211579-02-0
PubChem CID	66974869
IUPAC Name	6-methoxy-3-methylpyridine-2-carboxylic acid
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1.4
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(N=C(C=C1)OC)C(=O)O

InChI

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

InChIKey

SNHJPJPXGPVKHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1211579-02-0

CID: 66974869

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	1.4
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
GAC78942-01	5-Methoxy-3-methylpicolinic acid
FB46394-01	3-Bromo-6-methylpicolinic acid
PAA16288-01	3-Hydroxy-6-methylpicolinic acid
LYB53194	6-Methoxy-5-Methylnicotinic Acid
CLB13087-01	6-Methoxy-3-pyridineacetic acid
VXC68727-01	5-Bromo-6-methoxy-4-methylnicotinic acid
WXB15493-01	4-Bromo-5-methylpicolinic acid
HUB60936-01	3- (6-Methoxy-3-pyridinyl) propanoic Acid
DSA87194-01	6-Methoxy-6-methylheptanoic acid
QDA32137-01	2-Amino-3-methoxy-6-methylbenzoic acid

Catalog	Name
OR1080110-01	6-methoxy-5-methylpicolinic acid
OR1034114-01	5-Methoxy-6-methylpicolinic acid
OR1035100-01	5-Methoxy-3-methylpicolinic acid
OR302613	4-Methoxy-3-methylpicolinic acid
Fr14504	6-Methylpicolinic acid
264572-01	3-Bromo-6-methylpicolinic acid
OR1033907-01	3-Hydroxy-6-methylpicolinic acid
OR925285-01	6-Hydroxy-3-methylpicolinic acid
TRC-A898678-1G	3-Amino-6-methylpicolinic Acid
OR77192-01	3-Chloro-6-methylpicolinic acid