Methyl 6-nitronicotinate

CAT: 0127-OR83808-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR83808-01Size:100 mg

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CAS Number

54973-78-3

MDL Number

MFCD00091124

Purity

96%

Smiles

O=C(C1=CC=C([N+]([O-])=O)N=C1)OC

Chemical Information

Methyl 6-nitronicotinate

CAS Number	54973-78-3
PubChem CID	23271117
IUPAC Name	methyl 6-nitropyridine-3-carboxylate
Molecular Formula	C7H6N2O4
Molecular Weight	182.13
XLogP	0.9
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	213

SMILES

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

InChI

InChI=1S/C7H6N2O4/c1-13-7(10)5-2-3-6(8-4-5)9(11)12/h2-4H,1H3

InChIKey

PHIAHISRDZCZKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54973-78-3

CID: 23271117

Formula: C7H6N2O4

MW: 182.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.13
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.03275668
Monoisotopic Mass	182.03275668
Topological Polar Surface Area	85 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	213
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
OR1062356-01	Methyl 6- (ethylamino) -5-nitronicotinate
OR46526-01	Methyl 6-hydroxy-5-nitronicotinate
OR1072121-01	Methyl 6-bromo-5-nitronicotinate
OR79653-01	Methyl 6-amino-5-nitronicotinate
OR30827-01	Methyl 6-chloro-5-nitronicotinate
OR83518-01	Methyl 6-methoxy-5-nitronicotinate
OR303612	Methyl 4,6-dihydroxy-5-nitronicotinate
OR1069079-01	Methyl 2-nitronicotinate
OR303727-01	Methyl 4,6-dichloro-5-nitronicotinate
OR1063420-01	Methyl 5-nitronicotinate

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