Text Search
Structure Search

N-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-4-methylbenzamide

N-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-4-methylbenzamide

CAS: 477854-90-3

Formula: C19H14ClF3N4O

SMILES: CC1=CC=C(C=C1)C(=O)NC1=CC=CC(NC2=C(Cl)C=C(C=N2)C(F)(F)F)=N1

IUPAC: N-(6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}pyridin-2-yl)-4-methylbenzamide

InChI: InChI=1S/C19H14ClF3N4O/c1-11-5-7-12(8-6-11)18(28)27-16-4-2-3-15(25-16)26-17-14(20)9-13(10-24-17)19(21,22)23/h2-10H,1H3,(H2,24,25,26,27,28)

Composition: C (56.10%), H (3.47%), Cl (8.71%), F (14.01%), N (13.77%), O (3.93%)

Molar Mass: 406.79

Atom Count: 42

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 406.0808233
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VMHHBPAIHCKBAU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 102.52
Topological Polar Surface Area 66.91
Polarizability 36.66
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 477854-90-3 $51.35-$86.31$51.35$63.37$86.31
Request Quote