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897359-92-1 | 2-Pyridinecarbonitrile, 3-amino-6-(3,4-dimethoxyphenyl)-
CAS No: 897359-92-1 Catalog No: AG0041PH MDL No:
Product Description
Catalog Number:
AG0041PH
Chemical Name:
2-Pyridinecarbonitrile, 3-amino-6-(3,4-dimethoxyphenyl)-
CAS Number:
897359-92-1
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
3-amino-6-(3,4-dimethoxyphenyl)pyridine-2-carbonitrile
InChI:
InChI=1S/C14H13N3O2/c1-18-13-6-3-9(7-14(13)19-2)11-5-4-10(16)12(8-15)17-11/h3-7H,16H2,1-2H3
InChI Key:
GGBBUJQMTBNGLJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ccc(c(n1)C#N)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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