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887201-37-8 | 5-(6-Hydroxy-5-methylpyridin-3-yl)thiophene-2-carboxylic acid
CAS No: 887201-37-8 Catalog No: AG01FM2D MDL No:MFCD05885514
Product Description
Catalog Number:
AG01FM2D
Chemical Name:
5-(6-Hydroxy-5-methylpyridin-3-yl)thiophene-2-carboxylic acid
CAS Number:
887201-37-8
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD05885514
IUPAC Name:
5-(5-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H9NO3S/c1-6-4-7(5-12-10(6)13)8-2-3-9(16-8)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChI Key:
DIIWPABHGARQDY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)c1cnc(c(c1)C)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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