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27074-03-9 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CAS No: 27074-03-9 Catalog No: AG00I551 MDL No:MFCD00044065
Product Description
Catalog Number:
AG00I551
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CAS Number:
27074-03-9
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD00044065
IUPAC Name:
2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c1-5-3-7(11)10(2)8(12)6(5)4-9/h3,12H,1-2H3
InChI Key:
PJKGLFXXEKCAIE-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(n(c1=O)C)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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