Ethyl 3-hydroxypicolinate

CAT: 0127-OR928177-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR928177-01Size:1 g

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CAS Number

73406-50-5

MDL Number

MFCD11656384

Purity

98%

Smiles

CCOC(=O)c1ncccc1O

Chemical Information

Ethyl 3-hydroxypicolinate

CAS Number	73406-50-5
PubChem CID	15080989
IUPAC Name	ethyl 3-hydroxypyridine-2-carboxylate
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	2
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CCOC(=O)C1=C(C=CC=N1)O

InChI

InChI=1S/C8H9NO3/c1-2-12-8(11)7-6(10)4-3-5-9-7/h3-5,10H,2H2,1H3

InChIKey

NNYREQBXDUEBDD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73406-50-5

CID: 15080989

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	59.4 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
OR92876-01	Ethyl 6-hydroxypicolinate
OR1002026-01	Ethyl 4-hydroxypicolinate
OR941184	Ethyl 5-hydroxypicolinate
OR83553-01	Ethyl 5-bromo-3-hydroxypicolinate
OR315313	Ethyl 5-bromo-6-hydroxypicolinate
OR912546-01	Methyl 3-hydroxypicolinate
OR1037037-01	Tert-butyl 3-hydroxypicolinate
OR302223	Methyl 5-chloro-3-hydroxypicolinate
PC111383-01	Methyl 6-fluoro-3-hydroxypicolinate
OR76474-01	Methyl 5-bromo-3-hydroxypicolinate

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