Text Search
Structure Search

{[3-chloro-5-(trifluoromethyl)pyridin-2-yl][(pyridin-3-ylmethyl)amino]methylidene}amino acetate

{[3-chloro-5-(trifluoromethyl)pyridin-2-yl][(pyridin-3-ylmethyl)amino]methylidene}amino acetate

CAS: 320420-59-5

Formula: C15H12ClF3N4O2

SMILES: CC(=O)ON=C(NCC1=CN=CC=C1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: {[3-chloro-5-(trifluoromethyl)pyridin-2-yl]({[(pyridin-3-yl)methyl]amino})methylidene}amino acetate

InChI: InChI=1S/C15H12ClF3N4O2/c1-9(24)25-23-14(22-7-10-3-2-4-20-6-10)13-12(16)5-11(8-21-13)15(17,18)19/h2-6,8H,7H2,1H3,(H,22,23)

Composition: C (48.34%), H (3.25%), Cl (9.51%), F (15.29%), N (15.03%), O (8.58%)

Molar Mass: 372.73

Atom Count: 37

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 372.0600878
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KTWIXEFQRJNWPC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.71
Topological Polar Surface Area 76.47
Polarizability 31.33
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 320420-59-5 $51.35-$86.31$51.35$63.37$86.31
Request Quote