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20577-26-8 | 3-Pyridinecarbonitrile, 2-bromo-
CAS No: 20577-26-8 Catalog No: AG002ACT MDL No:MFCD00234140
Product Description
Catalog Number:
AG002ACT
Chemical Name:
3-Pyridinecarbonitrile, 2-bromo-
CAS Number:
20577-26-8
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD00234140
IUPAC Name:
2-bromopyridine-3-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChI Key:
QIPXEPRGYVAQFI-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1Br
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.948g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.008g/mol
Monoisotopic Mass:
181.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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