3-bromo-5-(2-bromocyclopropyl)pyridine

C8H7Br2N — CID 164645028

IUPAC3-bromo-5-(2-bromocyclopropyl)pyridine
SMILESBrc1cncc(C2CC2Br)c1
InChIInChI=1S/C8H7Br2N/c9-6-1-5(3-11-4-6)7-2-8(7)10/h1,3-4,7-8H,2H2
InChIKeyCKXIAXVPSPNLDB-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-5-(2-bromocyclopropyl)pyridine

3-bromo-5-(2-bromocyclopropyl)pyridine (PubChem CID 164645028) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is 3-bromo-5-(2-bromocyclopropyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2-bromocyclopropyl)pyridine
PubChem CID164645028
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC Name3-bromo-5-(2-bromocyclopropyl)pyridine
SMILESBrc1cncc(C2CC2Br)c1
InChIInChI=1S/C8H7Br2N/c9-6-1-5(3-11-4-6)7-2-8(7)10/h1,3-4,7-8H,2H2
InChIKeyCKXIAXVPSPNLDB-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.96
LogP ≤ 53.09
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-bromo-5-(2-bromocyclopropyl)pyridine?
The IUPAC name of 3-bromo-5-(2-bromocyclopropyl)pyridine (CID 164645028) is 3-bromo-5-(2-bromocyclopropyl)pyridine.
What is the SMILES notation for 3-bromo-5-(2-bromocyclopropyl)pyridine?
The canonical SMILES for 3-bromo-5-(2-bromocyclopropyl)pyridine is Brc1cncc(C2CC2Br)c1.
What is the InChIKey of 3-bromo-5-(2-bromocyclopropyl)pyridine?
The InChIKey is CKXIAXVPSPNLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-6-1-5(3-11-4-6)7-2-8(7)10/h1,3-4,7-8H,2H2.
What are the key properties of 3-bromo-5-(2-bromocyclopropyl)pyridine?
3-bromo-5-(2-bromocyclopropyl)pyridine has a molecular weight of 276.96 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-bromocyclopropyl)pyridine is sourced from PubChem (CID 164645028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).