Name: Name:2-amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Brand: Angene
SKU: AG01ELKU
Rating: 90 (10 reviews)

2-amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylic acid

CAS No.:

138060-94-3

Catalog Number:

AG01ELKU

Molecular Formula:

C7H5N3O3

Molecular Weight:

179.1329

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Product Description

Catalog Number:

AG01ELKU

Chemical Name:

2-amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylic acid

CAS Number:

138060-94-3

Molecular Formula:

C7H5N3O3

Molecular Weight:

179.1329

MDL Number:

MFCD07339522

IUPAC Name:

2-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylic acid

InChI:

InChI=1S/C7H5N3O3/c8-2-3-1-4(7(12)13)5(9)10-6(3)11/h1H,(H,12,13)(H3,9,10,11)

InChI Key:

WSSUAZKRKXPQHH-UHFFFAOYSA-N

SMILES:

N#Cc1cc(C(=O)O)c([nH]c1=O)N

Properties

Complexity:

397

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.135g/mol

Monoisotopic Mass:

179.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101