Methyl 4-nitropicolinate

CAT: 0024-sc-337988Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-337988Size:1 g

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CAS Number

29681-41-2

Chemical Information

Methyl 4-nitropyridine-2-carboxylate

CAS Number	29681-41-2
PubChem CID	3352523
IUPAC Name	methyl 4-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=CC(=C1)[N+](=O)[O-]

InChI

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

InChIKey

CPBOTXGXHPDXBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29681-41-2

CID: 3352523

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
sc-301123	Methyl 5-nitropicolinate
sc-301123A	Methyl 5-nitropicolinate
sc-328736A	Methyl 4,6-dichloro-5-nitronicotinate
sc-328738	Methyl 4,6-dihydroxy-5-nitronicotinate
sc-328738A	Methyl 4,6-dihydroxy-5-nitronicotinate
sc-328736	Methyl 4,6-dichloro-5-nitronicotinate
sc-228548	Methyl 4-methyl-4-nitropentanoate
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
sc-315190	4-[ (3-Methyl-4-nitrophenoxy) methyl]piperidine
sc-232344	4-[ (4-Methyl-1-piperazinyl) methyl]benzylamine

Catalog	Name
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