Home Halogens 5-bromo-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine

5-bromo-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine

CAS No.:
1338986-16-5
Catalog Number:
AG01BNR7
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
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Product Description
Catalog Number:
AG01BNR7
Chemical Name:
5-bromo-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CAS Number:
1338986-16-5
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD17259285
IUPAC Name:
5-bromo-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/C8H7BrN4/c1-5-11-8(13-12-5)7-3-2-6(9)4-10-7/h2-4H,1H3,(H,11,12,13)
InChI Key:
JXIMENQPNOTKHN-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)c1[nH]nc(n1)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.076g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties