Text Search
Structure Search

3-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

CAS: 439111-22-5

Formula: C16H13ClF3N3

SMILES: FC(F)(F)C1=CC(Cl)=C(NCCC2=CNC3=CC=CC=C23)N=C1

IUPAC: 3-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

InChI: InChI=1S/C16H13ClF3N3/c17-13-7-11(16(18,19)20)9-23-15(13)21-6-5-10-8-22-14-4-2-1-3-12(10)14/h1-4,7-9,22H,5-6H2,(H,21,23)

Composition: C (56.56%), H (3.86%), Cl (10.43%), F (16.78%), N (12.37%)

Molar Mass: 339.75

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 339.0750096
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DVVZEHLXFNKXSK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.64
Topological Polar Surface Area 40.71
Polarizability 31.86
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439111-22-5 $51.35-$524.40$51.35$63.37$86.31$524.40
Request Quote