Home Halogens 2-(5-bromo-2-hydroxypyridin-3-yl)acetonitrile

2-(5-bromo-2-hydroxypyridin-3-yl)acetonitrile

CAS No.:
1227591-25-4
Catalog Number:
AG01A58L
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
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Product Description
Catalog Number:
AG01A58L
Chemical Name:
2-(5-bromo-2-hydroxypyridin-3-yl)acetonitrile
CAS Number:
1227591-25-4
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD16608813
IUPAC Name:
2-(5-bromo-2-oxo-1H-pyridin-3-yl)acetonitrile
InChI:
InChI=1S/C7H5BrN2O/c8-6-3-5(1-2-9)7(11)10-4-6/h3-4H,1H2,(H,10,11)
InChI Key:
TXQSIWVKNWZPTN-UHFFFAOYSA-N
SMILES:
Oc1ncc(cc1CC#N)Br
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.034g/mol
Monoisotopic Mass:
211.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties