Text Search
Structure Search

1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}piperidin-4-one

1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}piperidin-4-one

CAS: 1057282-45-7

Formula: C12H12ClF3N2O

SMILES: FC(F)(F)C1=CC(Cl)=C(CN2CCC(=O)CC2)N=C1

IUPAC: 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}piperidin-4-one

InChI: InChI=1S/C12H12ClF3N2O/c13-10-5-8(12(14,15)16)6-17-11(10)7-18-3-1-9(19)2-4-18/h5-6H,1-4,7H2

Composition: C (49.24%), H (4.13%), Cl (12.11%), F (19.47%), N (9.57%), O (5.47%)

Molar Mass: 292.69

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 292.0590252
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YVDPSHXJFQEAIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.18
Topological Polar Surface Area 33.2
Polarizability 24.5
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Key Organics Ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1057282-45-7 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
Request Quote