Methyl 6-hydroxynicotinate

CAT: 0127-OR9557-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR9557-01Size:5 g

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CAS Number

66171-50-4

Synonyms

Methyl 6-hydroxypyridine-3-carboxylate, Methyl 1,6-dihydro-6-oxopyridine-3-carboxylate

MDL Number

MFCD08436011

Purity

98%

Smiles

COC(=O)c1ccc(O)nc1

Chemical Information

Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate

CAS Number	66171-50-4
PubChem CID	416343
IUPAC Name	methyl 6-oxo-1H-pyridine-3-carboxylate
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	-0.2
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	252

SMILES

COC(=O)C1=CNC(=O)C=C1

InChI

InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9)

InChIKey

JTVVPKLHKMKWNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66171-50-4

CID: 416343

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	252
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
OR1062928-01	Methyl 6-chloro-4-hydroxynicotinate
OR1032603-01	Methyl 6-bromo-5-hydroxynicotinate
OR6398-01	Methyl 5-bromo-6-hydroxynicotinate
OR110393-01	Methyl 5-chloro-6-hydroxynicotinate
OR1032728-01	Methyl 6-amino-5-hydroxynicotinate
OR73774-01	Methyl 6-chloro-5-hydroxynicotinate
PC1008547-01	Methyl 5- (4-fluorophenyl) -6-hydroxynicotinate
OR1028142-01	Methyl 2-Hydroxynicotinate
OR9567-01	Methyl 5-hydroxynicotinate
OR901986-01	Methyl 4-hydroxynicotinate

Catalog	Name
455803-01	Methyl 6-hydroxynicotinate
455684-01	Methyl 5-bromo-6-hydroxynicotinate
TRC-M295235-100MG	Methyl 6-Chloro-5-hydroxynicotinate
KAC66392-01	Methyl 6-amino-5-hydroxynicotinate
JH915892	Methyl 6-chloro-4-hydroxynicotinate
TRC-M312995-2.5G	Methyl 4-Hydroxynicotinate
TRC-M313005-2.5G	Methyl 5-Hydroxynicotinate
454971-01	Methyl 2-hydroxynicotinate
455729-01	Methyl 5-hydroxynicotinate, HCl
455661-01	Methyl 5-bromo-2-hydroxynicotinate