2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine

C11H15BrFN — CID 63204105

IUPAC2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
SMILESCC(C)(C)C(Br)Cc1ncccc1F
InChIInChI=1S/C11H15BrFN/c1-11(2,3)10(12)7-9-8(13)5-4-6-14-9/h4-6,10H,7H2,1-3H3
InChIKeyVCJMVZWRXZROLM-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.57
Rot. Bonds2

About 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine

2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine (PubChem CID 63204105) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
PubChem CID63204105
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
SMILESCC(C)(C)C(Br)Cc1ncccc1F
InChIInChI=1S/C11H15BrFN/c1-11(2,3)10(12)7-9-8(13)5-4-6-14-9/h4-6,10H,7H2,1-3H3
InChIKeyVCJMVZWRXZROLM-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine 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-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine?
The IUPAC name of 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine (CID 63204105) is 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine.
What is the SMILES notation for 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine?
The canonical SMILES for 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine is CC(C)(C)C(Br)Cc1ncccc1F.
What is the InChIKey of 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine?
The InChIKey is VCJMVZWRXZROLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-11(2,3)10(12)7-9-8(13)5-4-6-14-9/h4-6,10H,7H2,1-3H3.
What are the key properties of 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine?
2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine has a molecular weight of 260.15 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine is sourced from PubChem (CID 63204105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).