Ethyl 2-hydroxy-6-methylisonicotinate

CAT: 0127-OR1051898-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1051898-01Size:250 mg

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CAS Number

150190-03-7

MDL Number

MFCD09953494

Purity

95%

Smiles

O=C(C1=CC(O)=NC(C)=C1)OCC

Chemical Information

Ethyl 2-hydroxy-6-methylisonicotinate

CAS Number	150190-03-7
PubChem CID	12089326
IUPAC Name	ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	0.5
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	302

SMILES

CCOC(=O)C1=CC(=O)NC(=C1)C

InChI

InChI=1S/C9H11NO3/c1-3-13-9(12)7-4-6(2)10-8(11)5-7/h4-5H,3H2,1-2H3,(H,10,11)

InChIKey

WZUAZSMUJJUHMM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150190-03-7

CID: 12089326

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	302
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
OR27078	Ethyl 3-cyano-2-hydroxy-6-methylisonicotinate
OR1070241-01	Ethyl 5-hydroxy-2-methylisonicotinate
OR30788-01	Methyl 2-hydroxy-6-methylisonicotinate
OR27103	Ethyl 2-chloro-3-cyano-6-methylisonicotinate
OR1051562	Ethyl 3-methylisonicotinate
OR1058144-01	Ethyl 5-amino-2-methylisonicotinate
OR73788-01	Ethyl 2-chloro-3-methylisonicotinate
OR27119	Ethyl 2-[ (chloromethyl) thio]-3-cyano-6-methylisonicotinate
OR525681-01	Ethyl 2-chloro-5-methylisonicotinate
OR27132	Ethyl 3-cyano-2-[ (diethoxyphosphorothioyl) oxy]-6-methylisonicotinate

Catalog	Name
sc-263182	Ethyl 2-chloro-3-cyano-6-methylisonicotinate
448886-01	Ethyl 2-Chloro-3-methylisonicotinate
TRC-E901972-25MG	Ethyl 2-Chloro-3-methylisonicotinate-d3
sc-357935	Ethyl 2-hydroxy-6-methylbenzoate
TRC-H945025-1G	2-Hydroxy-2'-ethyl-6'-methylacetanilide
sc-259805A	2-Ethyl-3-hydroxy-6-methylpyridine
GTR19270778-01	2- (4-hydroxyphenyl) ethyl 2-hydroxy-6-methoxybenzoate
sc-497962	2-Ethyl-6-hydroxy-4 (3H) -pyrimidinone
FE64679-01	2-Ethyl-3-hydroxy-6-methylpyridine hydrochloride
sc-269024	Ethyl 2-hydroxy-6-methylpyridine-4-carboxylate