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Home > Pyridines > 627843-18-9
627843-18-9 | 5-(pyrrolidine-1-sulfonyl)pyridin-2-ol
CAS No: 627843-18-9 Catalog No: AG00IB34 MDL No:MFCD07313523
Product Description
Catalog Number:
AG00IB34
Chemical Name:
5-(pyrrolidine-1-sulfonyl)pyridin-2-ol
CAS Number:
627843-18-9
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD07313523
IUPAC Name:
5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one
InChI:
InChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12)
InChI Key:
QOYWWWXFIYKITJ-UHFFFAOYSA-N
SMILES:
O=c1ccc(c[nH]1)S(=O)(=O)N1CCCC1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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