Home Carboxys 6-Chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid

6-Chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid

CAS No.:
915140-96-4
Catalog Number:
AG0069U2
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
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Product Description
Catalog Number:
AG0069U2
Chemical Name:
6-Chloro-1h-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CAS Number:
915140-96-4
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD11518910
IUPAC Name:
6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-6-2-1-4-5(8(12)13)3-10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChI Key:
NPXFUIWZQKUEQK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)[nH]cc2C(=O)O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties