Home Halogens 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid

CAS No.:
1060795-03-0
Catalog Number:
AG00HAQT
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
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Product Description
Catalog Number:
AG00HAQT
Chemical Name:
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
CAS Number:
1060795-03-0
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD11100764
IUPAC Name:
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
InChI:
InChI=1S/C9H7BrN2O2/c10-6-2-7-5(1-8(13)14)3-11-9(7)12-4-6/h2-4H,1H2,(H,11,12)(H,13,14)
InChI Key:
YFHPUFLHVMUSKN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(Br)cn2
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties