4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine

C25H17BrF4N2 — CID 159287600

IUPAC4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(c1cccc(-c2ccc(F)cc2F)n1)c1cc(Br)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C25H17BrF4N2/c1-25(2,23-5-3-4-21(31-23)17-8-6-15(27)12-19(17)29)24-11-14(26)10-22(32-24)18-9-7-16(28)13-20(18)30/h3-13H,1-2H3
InChIKeySXJASIDYTXNNEK-UHFFFAOYSA-N
MW501.32 g/mol
LogP7.46
Rot. Bonds4

About 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine

4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 159287600) has the molecular formula C25H17BrF4N2 and a molecular weight of 501.32 g/mol. Its IUPAC name is 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine
PubChem CID159287600
Molecular FormulaC25H17BrF4N2
Molecular Weight501.32 g/mol
Exact Mass500.05
IUPAC Name4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(C)(c1cccc(-c2ccc(F)cc2F)n1)c1cc(Br)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C25H17BrF4N2/c1-25(2,23-5-3-4-21(31-23)17-8-6-15(27)12-19(17)29)24-11-14(26)10-22(32-24)18-9-7-16(28)13-20(18)30/h3-13H,1-2H3
InChIKeySXJASIDYTXNNEK-UHFFFAOYSA-N
XLogP7.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.32
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Related Compounds

2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486
2,6-Bis(2,4-difluorophenyl)pyridine
CID 57796410
2-(4-Bromophenyl)-6-tert-butyl-4-phenylpyridine
CID 1727300
2,6-Bis(4-bromophenyl)-4-phenylpyridine
CID 1806873
6,6'-Diphenyl-2,2'-bipyridine
CID 15426909
4-Bromo-3,5-difluoro-2,6-bis(4-methylphenyl)pyridine
CID 11291770
2,6-Bis(4-fluorophenyl)-3-methylpyridine
CID 122219352
2-Pentafluorophenyl-4,6-diphenylpyridine
CID 129786294
4-(3-Bromophenyl)-2,6-diphenylpyridine
CID 3730816
2-(4-Bromophenyl)-6-phenylpyridine
CID 10018239
2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-6,6'-diphenyl-
CID 11711463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine (CID 159287600) is 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine is CC(C)(c1cccc(-c2ccc(F)cc2F)n1)c1cc(Br)cc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is SXJASIDYTXNNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrF4N2/c1-25(2,23-5-3-4-21(31-23)17-8-6-15(27)12-19(17)29)24-11-14(26)10-22(32-24)18-9-7-16(28)13-20(18)30/h3-13H,1-2H3.
What are the key properties of 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine?
4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 501.32 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,4-difluorophenyl)-6-[2-[6-(2,4-difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 159287600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).