Methyl 2-hydroxy-5-nitronicotinate

CAT: 0127-OR59785Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

856579-28-7

Synonyms

Methyl 1,2-dihydro-5-nitro-2-oxopyridine-3-carboxylate, 3- (Methoxycarbonyl) -5-nitropyridin-2 (1H) -one

MDL Number

MFCD07783889

Purity

98%

Smiles

COC(=O)c1cc(cnc1O)[N+](=O)[O-]

Storage Conditions

Store at 2-8°C

Chemical Information

Methyl 2-hydroxy-5-nitronicotinate

CAS Number	856579-28-7
PubChem CID	7204882
IUPAC Name	methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate
Molecular Formula	C7H6N2O5
Molecular Weight	198.13
XLogP	-0.2
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	363

SMILES

COC(=O)C1=CC(=CNC1=O)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O5/c1-14-7(11)5-2-4(9(12)13)3-8-6(5)10/h2-3H,1H3,(H,8,10)

InChIKey

DLMMETCUQGSGOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 856579-28-7

CID: 7204882

Formula: C7H6N2O5

MW: 198.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.13
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	198.02767130
Monoisotopic Mass	198.02767130
Topological Polar Surface Area	101 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	363
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
OR1036971	Methyl 4-hydroxy-5-nitronicotinate
OR46526-01	Methyl 6-hydroxy-5-nitronicotinate
OR40386	Ethyl 2-hydroxy-5-nitronicotinate
OR1063420-01	Methyl 5-nitronicotinate
OR1063238-01	Methyl 2-methoxy-5-nitronicotinate
OR303671	Methyl 2- (methylamino) -5-nitronicotinate
OR42165	Methyl 2-chloro-5-nitronicotinate
OR90208	Methyl 2-amino-5-nitronicotinate
OR1069079-01	Methyl 2-nitronicotinate
OR1062356-01	Methyl 6- (ethylamino) -5-nitronicotinate

Catalog	Name
TRC-M323438-250MG	Methyl 2-Hydroxy-5-nitronicotinate
XIA97061	Methyl 6-hydroxy-5-nitronicotinate
sc-269421	Methyl 2-chloro-5-nitronicotinate
sc-482666	Methyl 6-chloro-5-nitronicotinate
RG-A262880-01	Methyl 6-Amino-5-Nitronicotinate
abx182464-01	Ethyl 6-methyl-5-nitronicotinate
455753-01	Methyl 6- (ethylamino) -5-nitronicotinate
abx185413	Ethyl 2,4-dihydroxy-6-Methyl-5-nitronicotinate
sc-328736A	Methyl 4,6-dichloro-5-nitronicotinate
sc-328738	Methyl 4,6-dihydroxy-5-nitronicotinate