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5444-02-0 | 6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 5444-02-0 Catalog No: AG003G4Q MDL No:MFCD00043831
Product Description
Catalog Number:
AG003G4Q
Chemical Name:
6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
5444-02-0
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD00043831
IUPAC Name:
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
InChI Key:
YRGYYQCOWUULNF-UHFFFAOYSA-N
SMILES:
Cc1cc(O)[nH]c(=O)c1C#N
NSC Number:
19883
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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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