2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine

C10H9BrF5NO — CID 134365098

IUPAC2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESFC(F)(F)C(F)(F)COc1ccc(CCBr)nc1
InChIInChI=1S/C10H9BrF5NO/c11-4-3-7-1-2-8(5-17-7)18-6-9(12,13)10(14,15)16/h1-2,5H,3-4,6H2
InChIKeyTXSTZENGEKEDOS-UHFFFAOYSA-N
MW334.08 g/mol
LogP3.60
Rot. Bonds5

About 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine

2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine (PubChem CID 134365098) has the molecular formula C10H9BrF5NO and a molecular weight of 334.08 g/mol. Its IUPAC name is 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine.

Molecular Properties

Compound Name2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
PubChem CID134365098
Molecular FormulaC10H9BrF5NO
Molecular Weight334.08 g/mol
Exact Mass332.98
IUPAC Name2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESFC(F)(F)C(F)(F)COc1ccc(CCBr)nc1
InChIInChI=1S/C10H9BrF5NO/c11-4-3-7-1-2-8(5-17-7)18-6-9(12,13)10(14,15)16/h1-2,5H,3-4,6H2
InChIKeyTXSTZENGEKEDOS-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.08
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The IUPAC name of 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine (CID 134365098) is 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine.
What is the SMILES notation for 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The canonical SMILES for 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine is FC(F)(F)C(F)(F)COc1ccc(CCBr)nc1.
What is the InChIKey of 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The InChIKey is TXSTZENGEKEDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF5NO/c11-4-3-7-1-2-8(5-17-7)18-6-9(12,13)10(14,15)16/h1-2,5H,3-4,6H2.
What are the key properties of 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine has a molecular weight of 334.08 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine is sourced from PubChem (CID 134365098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).