2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine

C25H19Br2FN2 — CID 58852741

IUPAC2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine
SMILESCCC(F)(c1cc(Br)cc(-c2ccccn2)c1)c1cccc(-c2cccc(Br)c2)n1
InChIInChI=1S/C25H19Br2FN2/c1-2-25(28,19-13-18(15-21(27)16-19)22-9-3-4-12-29-22)24-11-6-10-23(30-24)17-7-5-8-20(26)14-17/h3-16H,2H2,1H3
InChIKeyKLZCULQXCUPVOT-UHFFFAOYSA-N
MW526.25 g/mol
LogP7.96
Rot. Bonds5

About 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine

2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine (PubChem CID 58852741) has the molecular formula C25H19Br2FN2 and a molecular weight of 526.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine
PubChem CID58852741
Molecular FormulaC25H19Br2FN2
Molecular Weight526.25 g/mol
Exact Mass523.99
IUPAC Name2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine
SMILESCCC(F)(c1cc(Br)cc(-c2ccccn2)c1)c1cccc(-c2cccc(Br)c2)n1
InChIInChI=1S/C25H19Br2FN2/c1-2-25(28,19-13-18(15-21(27)16-19)22-9-3-4-12-29-22)24-11-6-10-23(30-24)17-7-5-8-20(26)14-17/h3-16H,2H2,1H3
InChIKeyKLZCULQXCUPVOT-UHFFFAOYSA-N
XLogP7.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.25
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-(3-Bromo-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
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(-)-Brompheniramine
CID 6328079
4-[4-Bromo-2-(4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399242
5-((4-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330085
5-((5-Methylpyridin-3-yl)methyl)-2-phenylpyridine
CID 57330086
3-(2,2-Dipyridin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 66829417

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine (CID 58852741) is 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine is CCC(F)(c1cc(Br)cc(-c2ccccn2)c1)c1cccc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine?
The InChIKey is KLZCULQXCUPVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Br2FN2/c1-2-25(28,19-13-18(15-21(27)16-19)22-9-3-4-12-29-22)24-11-6-10-23(30-24)17-7-5-8-20(26)14-17/h3-16H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine?
2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine has a molecular weight of 526.25 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-[1-(3-bromo-5-pyridin-2-ylphenyl)-1-fluoropropyl]pyridine is sourced from PubChem (CID 58852741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).