Home Halogens 5-bromo-6-(trifluoromethyl)pyridine-3-carbonitrile

5-bromo-6-(trifluoromethyl)pyridine-3-carbonitrile

CAS No.:
1245915-01-8
Catalog Number:
AG01B719
Molecular Formula:
C7H2BrF3N2
Molecular Weight:
251.0034
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Product Description
Catalog Number:
AG01B719
Chemical Name:
5-bromo-6-(trifluoromethyl)pyridine-3-carbonitrile
CAS Number:
1245915-01-8
Molecular Formula:
C7H2BrF3N2
Molecular Weight:
251.0034
MDL Number:
MFCD18255226
IUPAC Name:
5-bromo-6-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H2BrF3N2/c8-5-1-4(2-12)3-13-6(5)7(9,10)11/h1,3H
InChI Key:
CFRQHYMMUIEQFK-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1)Br)C(F)(F)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.935g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.006g/mol
Monoisotopic Mass:
249.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties