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Home Other Building Blocks 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetic acid

2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetic acid

CAS No.:
1912-42-1
Catalog Number:
AG002F49
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$213
- +
5g
97%
1 week
United States
$549
- +
10g
97%
1 week
United States
$846
- +
Product Description
Catalog Number:
AG002F49
Chemical Name:
2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)acetic acid
CAS Number:
1912-42-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD10698203
IUPAC Name:
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
InChI:
InChI=1S/C9H8N2O2/c12-8(13)4-6-5-11-9-7(6)2-1-3-10-9/h1-3,5H,4H2,(H,10,11)(H,12,13)
InChI Key:
NQHGQOVKJGGLKE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cccn2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorganic & medicinal chemistry letters 20090815
Binding of ring-substituted indole-3-acetic acids to human serum albumin. Bioorganic & medicinal chemistry 20070701
Absorption and fluorescence spectra of ring-substituted indole-3-acetic acids. Biophysical chemistry 20041101
Ab initio Hartree-Fock investigation of 1-H-pyrrolo[3,2-b]pyridine-3-yl acetic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010901
Properties