2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile

2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile

CAS: 478043-30-0

Formula: C18H8ClF6N3

SMILES: FC(F)(F)C1=CC(=C2C=CC(=NC2=N1)C(C#N)C1=CC=CC(Cl)=C1)C(F)(F)F

IUPAC: 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile

InChI: InChI=1/C18H8ClF6N3/c19-10-3-1-2-9(6-10)12(8-26)14-5-4-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H

Composition: C (52.01%), H (1.94%), Cl (8.53%), F (27.42%), N (10.11%)

Molar Mass: 415.72

Atom Count: 36

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	415.0310939
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QPWWAOMXYPIDOY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	90.36
Topological Polar Surface Area	49.57
Polarizability	32.81
Ring Count	3
Rotatable Bond Count	4

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