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Home > Pyridines > 730951-47-0
730951-47-0 | 5-(2-hydroxybenzoyl)-2-oxo-1-(pyridin-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS No: 730951-47-0 Catalog No: AG019ICM MDL No:MFCD04621708
Product Description
Catalog Number:
AG019ICM
Chemical Name:
5-(2-hydroxybenzoyl)-2-oxo-1-(pyridin-2-yl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
730951-47-0
Molecular Formula:
C18H11N3O3
Molecular Weight:
317.2982
MDL Number:
MFCD04621708
IUPAC Name:
5-(2-hydroxybenzoyl)-2-oxo-1-pyridin-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C18H11N3O3/c19-10-12-9-13(17(23)14-5-1-2-6-15(14)22)11-21(18(12)24)16-7-3-4-8-20-16/h1-9,11,22H
InChI Key:
ARHPZWOJFGHEFU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)c1ccccn1)C(=O)c1ccccc1O
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.304g/mol
Monoisotopic Mass:
317.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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