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52779-56-3 | (4-fluorophenyl)(pyridin-3-yl)methanone
CAS No: 52779-56-3 Catalog No: AG00DCMQ MDL No:MFCD00448413
Product Description
Catalog Number:
AG00DCMQ
Chemical Name:
(4-fluorophenyl)(pyridin-3-yl)methanone
CAS Number:
52779-56-3
Molecular Formula:
C12H8FNO
Molecular Weight:
201.1964
MDL Number:
MFCD00448413
IUPAC Name:
(4-fluorophenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C12H8FNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H
InChI Key:
OISWSEUSVGRNBE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1cccnc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.2g/mol
Monoisotopic Mass:
201.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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