4-(3-bromopropyl)-3-fluoropyridine

C8H9BrFN — CID 104739099

IUPAC4-(3-bromopropyl)-3-fluoropyridine
SMILESFc1cnccc1CCCBr
InChIInChI=1S/C8H9BrFN/c9-4-1-2-7-3-5-11-6-8(7)10/h3,5-6H,1-2,4H2
InChIKeyGNGAKQMOYPRJTA-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.55
Rot. Bonds3

About 4-(3-bromopropyl)-3-fluoropyridine

4-(3-bromopropyl)-3-fluoropyridine (PubChem CID 104739099) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 4-(3-bromopropyl)-3-fluoropyridine.

Molecular Properties

Compound Name4-(3-bromopropyl)-3-fluoropyridine
PubChem CID104739099
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name4-(3-bromopropyl)-3-fluoropyridine
SMILESFc1cnccc1CCCBr
InChIInChI=1S/C8H9BrFN/c9-4-1-2-7-3-5-11-6-8(7)10/h3,5-6H,1-2,4H2
InChIKeyGNGAKQMOYPRJTA-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-3-fluoropyridine?
The IUPAC name of 4-(3-bromopropyl)-3-fluoropyridine (CID 104739099) is 4-(3-bromopropyl)-3-fluoropyridine.
What is the SMILES notation for 4-(3-bromopropyl)-3-fluoropyridine?
The canonical SMILES for 4-(3-bromopropyl)-3-fluoropyridine is Fc1cnccc1CCCBr.
What is the InChIKey of 4-(3-bromopropyl)-3-fluoropyridine?
The InChIKey is GNGAKQMOYPRJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c9-4-1-2-7-3-5-11-6-8(7)10/h3,5-6H,1-2,4H2.
What are the key properties of 4-(3-bromopropyl)-3-fluoropyridine?
4-(3-bromopropyl)-3-fluoropyridine has a molecular weight of 218.07 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-3-fluoropyridine is sourced from PubChem (CID 104739099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).