2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine

C24H14Br2F3N — CID 162351540

IUPAC2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H14Br2F3N/c25-20-9-3-16(4-10-20)22-13-18(15-1-7-19(8-2-15)24(27,28)29)14-23(30-22)17-5-11-21(26)12-6-17/h1-14H
InChIKeyXTAOSWGBGVVNGI-UHFFFAOYSA-N
MW533.19 g/mol
LogP8.63
Rot. Bonds3

About 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine

2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 162351540) has the molecular formula C24H14Br2F3N and a molecular weight of 533.19 g/mol. Its IUPAC name is 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID162351540
Molecular FormulaC24H14Br2F3N
Molecular Weight533.19 g/mol
Exact Mass530.94
IUPAC Name2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H14Br2F3N/c25-20-9-3-16(4-10-20)22-13-18(15-1-7-19(8-2-15)24(27,28)29)14-23(30-22)17-5-11-21(26)12-6-17/h1-14H
InChIKeyXTAOSWGBGVVNGI-UHFFFAOYSA-N
XLogP8.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.19
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine (CID 162351540) is 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XTAOSWGBGVVNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2F3N/c25-20-9-3-16(4-10-20)22-13-18(15-1-7-19(8-2-15)24(27,28)29)14-23(30-22)17-5-11-21(26)12-6-17/h1-14H.
What are the key properties of 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine?
2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 533.19 g/mol, XLogP of 8.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-bromophenyl)-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 162351540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).