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68612-93-1 | 1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)-3-pyridinecarbonitrile
CAS No: 68612-93-1 Catalog No: AG00FOXW MDL No:
Product Description
Catalog Number:
AG00FOXW
Chemical Name:
1,2-Dihydro-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)-3-pyridinecarbonitrile
CAS Number:
68612-93-1
IUPAC Name:
2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C15H14N2O2/c1-11-9-14(18)17(15(19)13(11)10-16)8-7-12-5-3-2-4-6-12/h2-6,9,19H,7-8H2,1H3
InChI Key:
JKVMGMSFODGPLF-UHFFFAOYSA-N
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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