Home Halogens 5-bromo-3-methoxy-6-methylpyridine-2-carbonitrile

5-bromo-3-methoxy-6-methylpyridine-2-carbonitrile

CAS No.:
1782594-09-5
Catalog Number:
AG01BV4E
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
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Product Description
Catalog Number:
AG01BV4E
Chemical Name:
5-bromo-3-methoxy-6-methylpyridine-2-carbonitrile
CAS Number:
1782594-09-5
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD28648014
IUPAC Name:
5-bromo-3-methoxy-6-methylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H7BrN2O/c1-5-6(9)3-8(12-2)7(4-10)11-5/h3H,1-2H3
InChI Key:
KLVZQPVERXKZJL-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(nc1C#N)C
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties