506433-27-8
N-(THIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE
NameN-(THIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE
1Identification
【Name】
N-(THIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD16659879
【English Synonyms】
【Formula】
C12H13F3N2OS
【MolWeight】
290.308
【Inchi】
InChI=1S/C12H13F3N2OS/c13-12(14,15)10-1-4-16-7-9(10)11(18)17-8-2-5-19-6-3-8/h1,4,7-8H,2-3,5-6H2,(H,17,18)
【InChIKey】
InChIKey=XQEDYHWOQPVBQG-UHFFFAOYSA-N
【SMILES】
S1CCC(CC1)NC(=O)C=1C=NC=CC1C(F)(F)F
【MOL File】
N-(THIAN-4-YL)-4-(TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.3525
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(THIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE.cml