Home Halogens 1-(5-bromopyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

1-(5-bromopyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:
1152547-68-6
Catalog Number:
AG01C499
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
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Product Description
Catalog Number:
AG01C499
Chemical Name:
1-(5-bromopyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CAS Number:
1152547-68-6
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
MDL Number:
MFCD10693302
IUPAC Name:
1-(5-bromopyridin-2-yl)-2,5-dimethylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H11BrN2O2/c1-7-5-10(12(16)17)8(2)15(7)11-4-3-9(13)6-14-11/h3-6H,1-2H3,(H,16,17)
InChI Key:
JYEGSKXXYCHKCU-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)n1c(C)cc(c1C)C(=O)O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties