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59661-47-1 | 1-(4-methoxyphenyl)-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS No: 59661-47-1 Catalog No: AG01B1TJ MDL No:MFCD16345381
Product Description
Catalog Number:
AG01B1TJ
Chemical Name:
1-(4-methoxyphenyl)-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CAS Number:
59661-47-1
Molecular Formula:
C17H15N3O
Molecular Weight:
277.3205
MDL Number:
MFCD16345381
IUPAC Name:
1-(4-methoxyphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C17H15N3O/c1-11-8-12(2)19-17-16(11)13(9-18)10-20(17)14-4-6-15(21-3)7-5-14/h4-8,10H,1-3H3
InChI Key:
WGFNBQKYVGVQGF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cc(c2c1nc(C)cc2C)C#N
NSC Number:
254170
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.327g/mol
Monoisotopic Mass:
277.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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