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

C18H12BrF3N2 — CID 68692484

IUPAC2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cncc(Br)c2)n1
InChIInChI=1S/C18H12BrF3N2/c1-11-6-13(12-2-4-15(5-3-12)18(20,21)22)8-17(24-11)14-7-16(19)10-23-9-14/h2-10H,1H3
InChIKeyPQACRQIRTCBURM-UHFFFAOYSA-N
MW393.21 g/mol
LogP5.90
Rot. Bonds2

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

2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 68692484) has the molecular formula C18H12BrF3N2 and a molecular weight of 393.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID68692484
Molecular FormulaC18H12BrF3N2
Molecular Weight393.21 g/mol
Exact Mass392.01
IUPAC Name2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cncc(Br)c2)n1
InChIInChI=1S/C18H12BrF3N2/c1-11-6-13(12-2-4-15(5-3-12)18(20,21)22)8-17(24-11)14-7-16(19)10-23-9-14/h2-10H,1H3
InChIKeyPQACRQIRTCBURM-UHFFFAOYSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.21
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine (CID 68692484) is 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cncc(Br)c2)n1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PQACRQIRTCBURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2/c1-11-6-13(12-2-4-15(5-3-12)18(20,21)22)8-17(24-11)14-7-16(19)10-23-9-14/h2-10H,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine?
2-(5-bromo-3-pyridinyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 393.21 g/mol, XLogP of 5.90, 2 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-methyl-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 68692484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).