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

C24H20BrClN2O — CID 5311276

IUPAC4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
SMILESCCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1
InChIInChI=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
InChIKeyHHBOWXZOLYQFNY-UHFFFAOYSA-N
MW467.79 g/mol
LogP7.62
Rot. Bonds6

About 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 (PubChem CID 5311276) has the molecular formula C24H20BrClN2O and a molecular weight of 467.79 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
PubChem CID5311276
Molecular FormulaC24H20BrClN2O
Molecular Weight467.79 g/mol
Exact Mass466.04
IUPAC Name4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
SMILESCCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1
InChIInChI=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
InChIKeyHHBOWXZOLYQFNY-UHFFFAOYSA-N
XLogP7.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.79
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-Allyloxy-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 12967035
4-[5-(4-Chloro-phenyl)-3-(5-chloro-2-propoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372471
4-[5-(4-Chloro-phenyl)-3-(2-ethoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372676
4-[5-(4-Chloro-phenyl)-3-(2-methoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372677
4-[5-(4-Chloro-phenyl)-3-(2-propoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372688
4-[5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372720
4-[3-(4-Bromo-2-propoxy-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372870
4-[5-(4-Chloro-phenyl)-3-(2-isopropoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372904
4-[5-(4-Chloro-phenyl)-3-(2-hexyloxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372923
4-[5-(4-Chloro-phenyl)-3-(3-methoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372946
4-[3-(2-Butoxy-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372948
4-[5-(4-Chloro-phenyl)-3-(2,6-dipropoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44373191

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine (CID 5311276) is 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine is CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1.
What is the InChIKey of 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is HHBOWXZOLYQFNY-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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 has a molecular weight of 467.79 g/mol, XLogP of 7.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 5311276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).