2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine

C20H14BrF3N2 — CID 68691053

IUPAC2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cncc(Br)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C20H14BrF3N2/c21-17-7-15(10-25-11-17)19-9-14(8-18(26-19)13-1-2-13)12-3-5-16(6-4-12)20(22,23)24/h3-11,13H,1-2H2
InChIKeyONLZKTXHUNOZCH-UHFFFAOYSA-N
MW419.24 g/mol
LogP6.47
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine

2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 68691053) has the molecular formula C20H14BrF3N2 and a molecular weight of 419.24 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID68691053
Molecular FormulaC20H14BrF3N2
Molecular Weight419.24 g/mol
Exact Mass418.03
IUPAC Name2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(-c3cncc(Br)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C20H14BrF3N2/c21-17-7-15(10-25-11-17)19-9-14(8-18(26-19)13-1-2-13)12-3-5-16(6-4-12)20(22,23)24/h3-11,13H,1-2H2
InChIKeyONLZKTXHUNOZCH-UHFFFAOYSA-N
XLogP6.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.24
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine (CID 68691053) is 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(-c3cncc(Br)c3)nc(C3CC3)c2)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is ONLZKTXHUNOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N2/c21-17-7-15(10-25-11-17)19-9-14(8-18(26-19)13-1-2-13)12-3-5-16(6-4-12)20(22,23)24/h3-11,13H,1-2H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine?
2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 419.24 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-6-cyclopropyl-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 68691053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).