3-(2-bromocyclopropyl)pyridine

C8H8BrN — CID 130539890

IUPAC3-(2-bromocyclopropyl)pyridine
SMILESBrC1CC1c1cccnc1
InChIInChI=1S/C8H8BrN/c9-8-4-7(8)6-2-1-3-10-5-6/h1-3,5,7-8H,4H2
InChIKeyGGBBSMLJOTWBIK-UHFFFAOYSA-N
MW198.06 g/mol
LogP2.33
Rot. Bonds1

About 3-(2-bromocyclopropyl)pyridine

3-(2-bromocyclopropyl)pyridine (PubChem CID 130539890) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 3-(2-bromocyclopropyl)pyridine.

Molecular Properties

Compound Name3-(2-bromocyclopropyl)pyridine
PubChem CID130539890
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name3-(2-bromocyclopropyl)pyridine
SMILESBrC1CC1c1cccnc1
InChIInChI=1S/C8H8BrN/c9-8-4-7(8)6-2-1-3-10-5-6/h1-3,5,7-8H,4H2
InChIKeyGGBBSMLJOTWBIK-UHFFFAOYSA-N
XLogP2.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 52.33
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-bromocyclopropyl)pyridine?
The IUPAC name of 3-(2-bromocyclopropyl)pyridine (CID 130539890) is 3-(2-bromocyclopropyl)pyridine.
What is the SMILES notation for 3-(2-bromocyclopropyl)pyridine?
The canonical SMILES for 3-(2-bromocyclopropyl)pyridine is BrC1CC1c1cccnc1.
What is the InChIKey of 3-(2-bromocyclopropyl)pyridine?
The InChIKey is GGBBSMLJOTWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c9-8-4-7(8)6-2-1-3-10-5-6/h1-3,5,7-8H,4H2.
What are the key properties of 3-(2-bromocyclopropyl)pyridine?
3-(2-bromocyclopropyl)pyridine has a molecular weight of 198.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromocyclopropyl)pyridine is sourced from PubChem (CID 130539890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).