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

C18H12BrF3N2 — CID 86615446

IUPAC2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(Br)n2)c1
InChIInChI=1S/C18H12BrF3N2/c1-11-9-15(12-5-7-13(8-6-12)18(20,21)22)23-16(10-11)14-3-2-4-17(19)24-14/h2-10H,1H3
InChIKeyBVWPDHRFSSARPF-UHFFFAOYSA-N
MW393.21 g/mol
LogP5.90
Rot. Bonds2

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

2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 86615446) has the molecular formula C18H12BrF3N2 and a molecular weight of 393.21 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID86615446
Molecular FormulaC18H12BrF3N2
Molecular Weight393.21 g/mol
Exact Mass392.01
IUPAC Name2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(Br)n2)c1
InChIInChI=1S/C18H12BrF3N2/c1-11-9-15(12-5-7-13(8-6-12)18(20,21)22)23-16(10-11)14-3-2-4-17(19)24-14/h2-10H,1H3
InChIKeyBVWPDHRFSSARPF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine (CID 86615446) is 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(Br)n2)c1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BVWPDHRFSSARPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2/c1-11-9-15(12-5-7-13(8-6-12)18(20,21)22)23-16(10-11)14-3-2-4-17(19)24-14/h2-10H,1H3.
What are the key properties of 2-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
2-(6-bromo-2-pyridinyl)-4-methyl-6-[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-(6-bromo-2-pyridinyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 86615446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).