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Home > Pyridines > 858117-28-9
858117-28-9 | Benzamide, 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS No: 858117-28-9 Catalog No: AG004RCD MDL No:
Product Description
Catalog Number:
AG004RCD
Chemical Name:
Benzamide, 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS Number:
858117-28-9
Molecular Formula:
C14H11N3O
Molecular Weight:
237.2566
IUPAC Name:
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
InChI:
InChI=1S/C14H11N3O/c15-13(18)10-3-1-9(2-4-10)12-7-11-5-6-16-14(11)17-8-12/h1-8H,(H2,15,18)(H,16,17)
InChI Key:
VTOWKWYQXYNGMD-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)c1cnc2c(c1)cc[nH]2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.262g/mol
Monoisotopic Mass:
237.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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