4,5-Dimethoxypicolinic acid

CAT: 0127-OR85353-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR85353-01Size:100 mg

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CAS Number

1256820-18-4

MDL Number

MFCD18255832

Purity

97%

Smiles

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

Chemical Information

4,5-Dimethoxypyridine-2-carboxylic acid

CAS Number	1256820-18-4
PubChem CID	53407820
IUPAC Name	4,5-dimethoxypyridine-2-carboxylic acid
Molecular Formula	C8H9NO4
Molecular Weight	183.16
XLogP	0.7
Topological Polar Surface Area	68.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	185

SMILES

COC1=CC(=NC=C1OC)C(=O)O

InChI

InChI=1S/C8H9NO4/c1-12-6-3-5(8(10)11)9-4-7(6)13-2/h3-4H,1-2H3,(H,10,11)

InChIKey

VHFJYYBVBBFJNT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256820-18-4

CID: 53407820

Formula: C8H9NO4

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	183.05315777
Monoisotopic Mass	183.05315777
Topological Polar Surface Area	68.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185
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
OR77330-01	5,6-Dimethoxypicolinic acid
OR1071209-01	4,6-Dimethoxypicolinic acid
OR91653-01	3,4-Dimethoxypicolinic acid
OR55218-01	5,6-Dimethoxynicotinic acid
OR1037320-01	4,6-Dimethoxynicotinic acid
PC9660-01	4,4,5,5,5-Pentafluoropentanoic acid
PC300938	5-Fluoro-2,6-dimethoxynicotinic acid
PC1567J-01	5-Bromo-4,4,5,5-tetrafluoropentanoic acid
PC4456-01	4,5,5-Trifluoropent-4-enoic acid
OR71192-01	4,5-Dichlorophthalic acid

Catalog	Name
VIA43783	3,4-Dimethoxypicolinic acid
423581-01	3-4-Dimethoxypicolinic Acid
437207-01	5,6-Dimethoxypicolinic acid
QDA76484-01	4,6-Dimethoxypicolinic acid
sc-356916A	4,4,5,5,5-Pentafluoropentanoic acid
abx180062-01	Pentanoic acid, 4,4,5,5,5-pentafluoro-
sc-290819	5-bromo-4,4,5,5-tetrafluoropentanoic acid
sc-262220A	4,5,5-Trifluoropent-4-enoic acid
280624-01	4,5-Imidazoledicarboxylic acid
299836	4,5-Dicaffeoylquinic acid