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Home Nitros Methyl 5-nitropicolinate

Methyl 5-nitropicolinate

CAS No.:
29682-14-2
Catalog Number:
AG002Z35
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$450
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG002Z35
Chemical Name:
Methyl 5-nitropicolinate
CAS Number:
29682-14-2
Molecular Formula:
C7H6N2O4
Molecular Weight:
182.1335
MDL Number:
MFCD09062740
IUPAC Name:
methyl 5-nitropyridine-2-carboxylate
InChI:
InChI=1S/C7H6N2O4/c1-13-7(10)6-3-2-5(4-8-6)9(11)12/h2-4H,1H3
InChI Key:
WBJDJRHSHXTRAT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.135g/mol
Monoisotopic Mass:
182.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase. Bioorganic & medicinal chemistry 20120501
Properties