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Home > Pyridines > 1018143-69-5
1018143-69-5 | 1-(4-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE
CAS No: 1018143-69-5 Catalog No: AG01AOCR MDL No:MFCD09701811
Product Description
Catalog Number:
AG01AOCR
Chemical Name:
1-(4-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE
CAS Number:
1018143-69-5
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
MDL Number:
MFCD09701811
IUPAC Name:
1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C15H11N3O/c1-19-13-6-4-12(5-7-13)18-10-11(9-16)14-3-2-8-17-15(14)18/h2-8,10H,1H3
InChI Key:
OUJOPHAMSAVRSS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cc(c2c1nccc2)C#N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.273g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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