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Home > Pyridines > 871544-57-9
871544-57-9 | (Z，E)-N'-hydroxy-2-(2-oxopyridin-1(2H)-yl)Ethanimidamide
CAS No: 871544-57-9 Catalog No: AG00H37T MDL No:MFCD07366450
Product Description
Catalog Number:
AG00H37T
Chemical Name:
(Z，E)-N'-hydroxy-2-(2-oxopyridin-1(2H)-yl)Ethanimidamide
CAS Number:
871544-57-9
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD07366450
IUPAC Name:
N'-hydroxy-2-(2-oxopyridin-1-yl)ethanimidamide
InChI:
InChI=1S/C7H9N3O2/c8-6(9-12)5-10-4-2-1-3-7(10)11/h1-4,12H,5H2,(H2,8,9)
InChI Key:
UCSPTQJZYRZFDV-UHFFFAOYSA-N
SMILES:
ONC(=N)Cn1ccccc1=O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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