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88009-96-5 | 6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 88009-96-5 Catalog No: AG01BFCN MDL No:MFCD03307455
Product Description
Catalog Number:
AG01BFCN
Chemical Name:
6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
88009-96-5
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD03307455
IUPAC Name:
2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h4,7,15H,6H2,1-3H3
InChI Key:
HTIHRQLBVBLYSO-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(n(c1=O)CC(C)C)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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