Methyl 5-nitropicolinate

CAT: 0127-OR901602-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR901602-01Size:1 g

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CAS Number

29682-14-2

Synonyms

Methyl 5-nitropyridine-2-carboxylate

MDL Number

MFCD09062740

Purity

98%

Smiles

COC(=O)c1ccc(cn1)[N+](=O)[O-]

Chemical Information

Methyl 5-nitropicolinate

CAS Number	29682-14-2
PubChem CID	12457882
IUPAC Name	methyl 5-nitropyridine-2-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=NC=C(C=C1)[N+](=O)[O-]

InChI

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

InChIKey

WBJDJRHSHXTRAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29682-14-2

CID: 12457882

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
OR75044-01	Methyl 6-chloro-5-nitropicolinate
OR94572-01	Methyl 5-methoxy-6-nitropicolinate
OR1069448-01	Methyl 4-amino-5-nitropicolinate
OR1068705-01	Methyl 5-chloro-3-nitropicolinate
OR94075-01	Ethyl 5-nitropicolinate
OR81873-01	Methyl 6-methoxy-3-nitropicolinate
OR1048114-01	Methyl 6-chloro-3-nitropicolinate
OR1034499-01	Ethyl 4-chloro-5-nitropicolinate
OR1073048-01	Ethyl 6-chloro-5-nitropicolinate
OR1033658-01	Ethyl 4-amino-5-nitropicolinate

Catalog	Name
sc-301123A	Methyl 5-nitropicolinate
sc-337988	Methyl 4-nitropicolinate
JH917808	Methyl 6-chloro-5-nitropicolinate
N0432S	5-Methyl-Cytidine-5’-Triphosphate (5-Methyl-CTP)
JH914963	Methyl 5- (dimethylamino) -2-methyl-5-oxopentanoate
GTR19250660-01	5-Methyl-5-phenylhydantoin
TRC-M302900-2.5G	Methyl 5,5-Dimethoxyvalerate
sc-278266	5-Methyl-5-nonanol
TRC-M781825-5G	5-Methyl-5-hexenal
PAA98318-01	Methyl 3-methyl-5-oxohexanoate