2-[(2,6-dichlorophenyl)sulfanyl]-4-(4-fluorophenyl)pyridine-3-carbonitrile

2-[(2,6-dichlorophenyl)sulfanyl]-4-(4-fluorophenyl)pyridine-3-carbonitrile

CAS: 478245-91-9

Formula: C18H9Cl2FN2S

SMILES: FC1=CC=C(C=C1)C1=C(C#N)C(SC2=C(Cl)C=CC=C2Cl)=NC=C1

IUPAC: 2-[(2,6-dichlorophenyl)sulfanyl]-4-(4-fluorophenyl)pyridine-3-carbonitrile

InChI: InChI=1S/C18H9Cl2FN2S/c19-15-2-1-3-16(20)17(15)24-18-14(10-22)13(8-9-23-18)11-4-6-12(21)7-5-11/h1-9H

Composition: C (57.62%), H (2.42%), Cl (18.89%), F (5.06%), N (7.47%), S (8.54%)

Molar Mass: 375.24

Atom Count: 33

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	373.984753
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LLTGBRHPXMURJU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.58
Topological Polar Surface Area	36.68
Polarizability	38.27
Ring Count	3
Rotatable Bond Count	3

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