3-(2,2-dibromocyclopropyl)-5-fluoropyridine

C8H6Br2FN — CID 126979804

IUPAC3-(2,2-dibromocyclopropyl)-5-fluoropyridine
SMILESFc1cncc(C2CC2(Br)Br)c1
InChIInChI=1S/C8H6Br2FN/c9-8(10)2-7(8)5-1-6(11)4-12-3-5/h1,3-4,7H,2H2
InChIKeyBWOHDKOSKWZZSB-UHFFFAOYSA-N
MW294.95 g/mol
LogP3.19
Rot. Bonds1

About 3-(2,2-dibromocyclopropyl)-5-fluoropyridine

3-(2,2-dibromocyclopropyl)-5-fluoropyridine (PubChem CID 126979804) has the molecular formula C8H6Br2FN and a molecular weight of 294.95 g/mol. Its IUPAC name is 3-(2,2-dibromocyclopropyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(2,2-dibromocyclopropyl)-5-fluoropyridine
PubChem CID126979804
Molecular FormulaC8H6Br2FN
Molecular Weight294.95 g/mol
Exact Mass292.89
IUPAC Name3-(2,2-dibromocyclopropyl)-5-fluoropyridine
SMILESFc1cncc(C2CC2(Br)Br)c1
InChIInChI=1S/C8H6Br2FN/c9-8(10)2-7(8)5-1-6(11)4-12-3-5/h1,3-4,7H,2H2
InChIKeyBWOHDKOSKWZZSB-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.95
LogP ≤ 53.19
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 3-(2,2-dibromocyclopropyl)-5-fluoropyridine?
The IUPAC name of 3-(2,2-dibromocyclopropyl)-5-fluoropyridine (CID 126979804) is 3-(2,2-dibromocyclopropyl)-5-fluoropyridine.
What is the SMILES notation for 3-(2,2-dibromocyclopropyl)-5-fluoropyridine?
The canonical SMILES for 3-(2,2-dibromocyclopropyl)-5-fluoropyridine is Fc1cncc(C2CC2(Br)Br)c1.
What is the InChIKey of 3-(2,2-dibromocyclopropyl)-5-fluoropyridine?
The InChIKey is BWOHDKOSKWZZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2FN/c9-8(10)2-7(8)5-1-6(11)4-12-3-5/h1,3-4,7H,2H2.
What are the key properties of 3-(2,2-dibromocyclopropyl)-5-fluoropyridine?
3-(2,2-dibromocyclopropyl)-5-fluoropyridine has a molecular weight of 294.95 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromocyclopropyl)-5-fluoropyridine is sourced from PubChem (CID 126979804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).