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259683-22-2 | 3-Pyridinecarbonitrile, 6-[(4-chlorophenyl)thio]-
CAS No: 259683-22-2 Catalog No: AG002R8J MDL No:MFCD00832838
Product Description
Catalog Number:
AG002R8J
Chemical Name:
3-Pyridinecarbonitrile, 6-[(4-chlorophenyl)thio]-
CAS Number:
259683-22-2
Molecular Formula:
C12H7ClN2S
Molecular Weight:
246.7154
MDL Number:
MFCD00832838
IUPAC Name:
6-(4-chlorophenyl)sulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H7ClN2S/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H
InChI Key:
UQLOILLWDIUULD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Sc1ccc(cc1)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.712g/mol
Monoisotopic Mass:
246.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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