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Home > Pyridines > 730951-39-0
730951-39-0 | 5-(2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 730951-39-0 Catalog No: AG019J0H MDL No:MFCD04621697
Product Description
Catalog Number:
AG019J0H
Chemical Name:
5-(2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
730951-39-0
Molecular Formula:
C16H14N2O4
Molecular Weight:
298.2934
MDL Number:
MFCD04621697
IUPAC Name:
5-(2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
InChI:
InChI=1S/C16H14N2O4/c1-22-7-6-18-10-12(8-11(9-17)16(18)21)15(20)13-4-2-3-5-14(13)19/h2-5,8,10,19H,6-7H2,1H3
InChI Key:
AOARUFPTPJIVAY-UHFFFAOYSA-N
SMILES:
COCCn1cc(cc(c1=O)C#N)C(=O)c1ccccc1O
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.298g/mol
Monoisotopic Mass:
298.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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