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Home > Fluorides > 1146221-74-0
1146221-74-0 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-6-Methyl-4-(trifluoroMethyl)-
CAS No: 1146221-74-0 Catalog No: AG000EU9 MDL No:MFCD12827797
Product Description
Catalog Number:
AG000EU9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-diMethylethyl)-6-Methyl-4-(trifluoroMethyl)-
CAS Number:
1146221-74-0
Molecular Formula:
C14H14F3N3
Molecular Weight:
281.2763
MDL Number:
MFCD12827797
IUPAC Name:
1-tert-butyl-6-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H14F3N3/c1-8-5-10(14(15,16)17)11-9(6-18)7-20(12(11)19-8)13(2,3)4/h5,7H,1-4H3
InChI Key:
BXHYVUDCYOCCLN-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1c(cc(n2)C)C(F)(F)F)C(C)(C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.282g/mol
Monoisotopic Mass:
281.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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