4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine

4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine

CAS: 191034-25-0

Formula: C24H20BrClN2O

SMILES: CCCOC1=CC=C(Br)C=C1C1=C(NC(=C1)C1=CC=C(Cl)C=C1)C1=CC=NC=C1

IUPAC: 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine

InChI: InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3

Composition: C (61.62%), H (4.31%), Br (17.08%), Cl (7.58%), N (5.99%), O (3.42%)

Molar Mass: 467.79

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	466.044754
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HHBOWXZOLYQFNY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.99
Topological Polar Surface Area	37.91
Polarizability	50.67
Ring Count	4
Rotatable Bond Count	6

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