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Home > Pyridines > 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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