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129090-37-5 | 3-Pyridinecarbonitrile, 2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-
CAS No: 129090-37-5 Catalog No: AG000YTY MDL No:
Product Description
Catalog Number:
AG000YTY
Chemical Name:
3-Pyridinecarbonitrile, 2-amino-5-(3,4-dimethoxyphenyl)-6-methyl-
CAS Number:
129090-37-5
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
2-amino-5-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C15H15N3O2/c1-9-12(6-11(8-16)15(17)18-9)10-4-5-13(19-2)14(7-10)20-3/h4-7H,1-3H3,(H2,17,18)
InChI Key:
RASMOUCLFYYPSU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cc(C#N)c(nc1C)N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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