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Home > Pyridines > 1222533-87-0
1222533-87-0 | 1,1'-(5-Methyl-1H-pyrrolo[2,3-b]pyridine-1,3-diyl) diethanone
CAS No: 1222533-87-0 Catalog No: AG00170H MDL No:MFCD15530314
Product Description
Catalog Number:
AG00170H
Chemical Name:
1,1'-(5-Methyl-1H-pyrrolo[2,3-b]pyridine-1,3-diyl) diethanone
CAS Number:
1222533-87-0
Molecular Formula:
C36H36N6O6
Molecular Weight:
648.7076
MDL Number:
MFCD15530314
IUPAC Name:
1-(1-acetyl-5-methylpyrrolo[2,3-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C12H12N2O2/c1-7-4-10-11(8(2)15)6-14(9(3)16)12(10)13-5-7/h4-6H,1-3H3
InChI Key:
ASIYQWHKYITYAO-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(cn2C(=O)C)C(=O)C.Cc1cnc2c(c1)c(cn2C(=O)C)C(=O)C.Cc1cnc2c(c1)c(cn2C(=O)C)C(=O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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