2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine

C9H8Br2F3N — CID 155356506

IUPAC2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine
SMILESFC(F)(F)C(CCBr)c1ccc(Br)nc1
InChIInChI=1S/C9H8Br2F3N/c10-4-3-7(9(12,13)14)6-1-2-8(11)15-5-6/h1-2,5,7H,3-4H2
InChIKeyOFQHIHCDWOLJDK-UHFFFAOYSA-N
MW346.97 g/mol
LogP4.28
Rot. Bonds3

About 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine

2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine (PubChem CID 155356506) has the molecular formula C9H8Br2F3N and a molecular weight of 346.97 g/mol. Its IUPAC name is 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine
PubChem CID155356506
Molecular FormulaC9H8Br2F3N
Molecular Weight346.97 g/mol
Exact Mass344.90
IUPAC Name2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine
SMILESFC(F)(F)C(CCBr)c1ccc(Br)nc1
InChIInChI=1S/C9H8Br2F3N/c10-4-3-7(9(12,13)14)6-1-2-8(11)15-5-6/h1-2,5,7H,3-4H2
InChIKeyOFQHIHCDWOLJDK-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.97
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine?
The IUPAC name of 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine (CID 155356506) is 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine.
What is the SMILES notation for 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine?
The canonical SMILES for 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine is FC(F)(F)C(CCBr)c1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine?
The InChIKey is OFQHIHCDWOLJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2F3N/c10-4-3-7(9(12,13)14)6-1-2-8(11)15-5-6/h1-2,5,7H,3-4H2.
What are the key properties of 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine?
2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine has a molecular weight of 346.97 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-bromo-1,1,1-trifluorobutan-2-yl)pyridine is sourced from PubChem (CID 155356506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).