2,3-dibromo-5-cyclopropylpyridine

C8H7Br2N — CID 130053485

IUPAC2,3-dibromo-5-cyclopropylpyridine
SMILESBrc1cc(C2CC2)cnc1Br
InChIInChI=1S/C8H7Br2N/c9-7-3-6(5-1-2-5)4-11-8(7)10/h3-5H,1-2H2
InChIKeyMOWGBTSQGBZUFG-UHFFFAOYSA-N
MW276.96 g/mol
LogP3.48
Rot. Bonds1

About 2,3-dibromo-5-cyclopropylpyridine

2,3-dibromo-5-cyclopropylpyridine (PubChem CID 130053485) has the molecular formula C8H7Br2N and a molecular weight of 276.96 g/mol. Its IUPAC name is 2,3-dibromo-5-cyclopropylpyridine.

Molecular Properties

Compound Name2,3-dibromo-5-cyclopropylpyridine
PubChem CID130053485
Molecular FormulaC8H7Br2N
Molecular Weight276.96 g/mol
Exact Mass274.89
IUPAC Name2,3-dibromo-5-cyclopropylpyridine
SMILESBrc1cc(C2CC2)cnc1Br
InChIInChI=1S/C8H7Br2N/c9-7-3-6(5-1-2-5)4-11-8(7)10/h3-5H,1-2H2
InChIKeyMOWGBTSQGBZUFG-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-cyclopropylpyridine?
The IUPAC name of 2,3-dibromo-5-cyclopropylpyridine (CID 130053485) is 2,3-dibromo-5-cyclopropylpyridine.
What is the SMILES notation for 2,3-dibromo-5-cyclopropylpyridine?
The canonical SMILES for 2,3-dibromo-5-cyclopropylpyridine is Brc1cc(C2CC2)cnc1Br.
What is the InChIKey of 2,3-dibromo-5-cyclopropylpyridine?
The InChIKey is MOWGBTSQGBZUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N/c9-7-3-6(5-1-2-5)4-11-8(7)10/h3-5H,1-2H2.
What are the key properties of 2,3-dibromo-5-cyclopropylpyridine?
2,3-dibromo-5-cyclopropylpyridine has a molecular weight of 276.96 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-cyclopropylpyridine is sourced from PubChem (CID 130053485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).