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286430-62-4 | 3-Pyridinecarbonitrile, 2-(dimethylamino)-6-(2-thienyl)-4-(trifluoromethyl)-
CAS No: 286430-62-4 Catalog No: AG002VYO MDL No:MFCD00113786
Product Description
Catalog Number:
AG002VYO
Chemical Name:
3-Pyridinecarbonitrile, 2-(dimethylamino)-6-(2-thienyl)-4-(trifluoromethyl)-
CAS Number:
286430-62-4
Molecular Formula:
C13H10F3N3S
Molecular Weight:
297.2988
MDL Number:
MFCD00113786
IUPAC Name:
2-(dimethylamino)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10F3N3S/c1-19(2)12-8(7-17)9(13(14,15)16)6-10(18-12)11-4-3-5-20-11/h3-6H,1-2H3
InChI Key:
BPQKYSXGXIFVQQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(nc(cc1C(F)(F)F)c1cccs1)N(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.299g/mol
Monoisotopic Mass:
297.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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