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Home > Pyridines > 1221723-77-8
1221723-77-8 | 1-tert-butyl-5-formyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS No: 1221723-77-8 Catalog No: AG019WAW MDL No:MFCD13368190
Product Description
Catalog Number:
AG019WAW
Chemical Name:
1-tert-butyl-5-formyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS Number:
1221723-77-8
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD13368190
IUPAC Name:
1-tert-butyl-5-formylpyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H13N3O/c1-13(2,3)16-7-10(5-14)11-4-9(8-17)6-15-12(11)16/h4,6-8H,1-3H3
InChI Key:
OTBGTILLAONBGQ-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cc(C=O)cn2)C(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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