4-(4-chlorophenyl)-6-(3,4-dichlorophenyl)-2-(piperidin-1-yl)pyridine-3-carbonitrile

4-(4-chlorophenyl)-6-(3,4-dichlorophenyl)-2-(piperidin-1-yl)pyridine-3-carbonitrile

CAS: 303984-66-9

Formula: C23H18Cl3N3

SMILES: ClC1=CC=C(C=C1)C1=CC(=NC(N2CCCCC2)=C1C#N)C1=CC(Cl)=C(Cl)C=C1

IUPAC: 4-(4-chlorophenyl)-6-(3,4-dichlorophenyl)-2-(piperidin-1-yl)pyridine-3-carbonitrile

InChI: InChI=1S/C23H18Cl3N3/c24-17-7-4-15(5-8-17)18-13-22(16-6-9-20(25)21(26)12-16)28-23(19(18)14-27)29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2

Composition: C (62.39%), H (4.10%), Cl (24.02%), N (9.49%)

Molar Mass: 442.77

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	441.0566307
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BCFUPQDSXPMZRW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	120.82
Topological Polar Surface Area	39.92
Polarizability	48.41
Ring Count	4
Rotatable Bond Count	3

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