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Home > Pyridines > 139962-68-8

139962-68-8

139962-68-8 | 1H-Pyrrolo[2,3-b]pyridine, 2-(4-methoxyphenyl)-

CAS No: 139962-68-8 Catalog No: AG001BVD MDL No:MFCD11501454

Product Description

Catalog Number:
AG001BVD
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-(4-methoxyphenyl)-
CAS Number:
139962-68-8
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD11501454
IUPAC Name:
2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H12N2O/c1-17-12-6-4-10(5-7-12)13-9-11-3-2-8-15-14(11)16-13/h2-9H,1H3,(H,15,16)
InChI Key:
SHISXEDJQZVJAL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc2c([nH]1)nccc2

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

Title Journal
The acid-catalysed synthesis of 7-azaindoles from 3-alkynyl-2-aminopyridines and their antimicrobial activity. Organic & biomolecular chemistry 20140114
Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects. Journal of medicinal chemistry 20030116

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