Home Halogens 2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

CAS No.:
1368144-86-8
Catalog Number:
AG01BHX3
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
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Product Description
Catalog Number:
AG01BHX3
Chemical Name:
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CAS Number:
1368144-86-8
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD22034383
IUPAC Name:
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8BrNO2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H,12,13)
InChI Key:
WDJPNWHCPKVXQA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2CCCc2nc1Br
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties