Methyl 6-hydroxy-5-nitronicotinate

CAT: 0926-XIA97061Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-XIA97061Size:5 g

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CAS Number

222970-61-8

MDL Number

MFCD10699641

Smiles

COC (=O) C1=CNC (=O) C (=C1) [N+] (=O) [O-]

Molecular Formula

C7H6N2O5

Molecular Weight

198.13 g/mol

Controlled

Chemical Information

Methyl 6-hydroxy-5-nitronicotinate

CAS Number	222970-61-8
PubChem CID	15906357
IUPAC Name	methyl 5-nitro-6-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=CNC(=O)C(=C1)[N+](=O)[O-]

InChI

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

InChIKey

ILGFGEIQCLRIBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 222970-61-8

CID: 15906357

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
KKB95046	Methyl 6-hydroxy-5-iodonicotinate
FH34760-01	5-Hydroxy-2-methyl-6-nitropyridine
MBA53116-01	5-Hydroxy-6-methyl-nicotinic acid methyl ester
JMB36139-01	Methyl 5-chloro-2-hydroxy-6-methylnicotinate
PXB81687-01	Methyl 5-hydroxy-6-iodopyridine-3-carboxylate
ZEA99248-01	Diclofop-methyl-5-hydroxy
BDA51064	5-Iodo-4-hydroxy-6-methyl-2-methylthiopyrimidine
QFA92335-01	6-Hydroxy-5,6-dehydrosugiol
LCA54852	Methyl 3-hydroxy-6-methylpicolinate
MIA25952-01	Methyl 5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

Catalog	Name
OR46526-01	Methyl 6-hydroxy-5-nitronicotinate
OR1036971	Methyl 4-hydroxy-5-nitronicotinate
OR59785	Methyl 2-hydroxy-5-nitronicotinate
sc-482666	Methyl 6-chloro-5-nitronicotinate
OR83808-01	Methyl 6-nitronicotinate
RG-A262880-01	Methyl 6-Amino-5-Nitronicotinate
OR1062356-01	Methyl 6- (ethylamino) -5-nitronicotinate
abx182464-01	Ethyl 6-methyl-5-nitronicotinate
OR1072121-01	Methyl 6-bromo-5-nitronicotinate
OR83518-01	Methyl 6-methoxy-5-nitronicotinate