3,5-dibromo-4-ethynylpyridine

C7H3Br2N — CID 130936356

IUPAC3,5-dibromo-4-ethynylpyridine
SMILESC#Cc1c(Br)cncc1Br
InChIInChI=1S/C7H3Br2N/c1-2-5-6(8)3-10-4-7(5)9/h1,3-4H
InChIKeyAUEULWWKSIKLEL-UHFFFAOYSA-N
MW260.92 g/mol
LogP2.59
Rot. Bonds

About 3,5-dibromo-4-ethynylpyridine

3,5-dibromo-4-ethynylpyridine (PubChem CID 130936356) has the molecular formula C7H3Br2N and a molecular weight of 260.92 g/mol. Its IUPAC name is 3,5-dibromo-4-ethynylpyridine.

Molecular Properties

Compound Name3,5-dibromo-4-ethynylpyridine
PubChem CID130936356
Molecular FormulaC7H3Br2N
Molecular Weight260.92 g/mol
Exact Mass258.86
IUPAC Name3,5-dibromo-4-ethynylpyridine
SMILESC#Cc1c(Br)cncc1Br
InChIInChI=1S/C7H3Br2N/c1-2-5-6(8)3-10-4-7(5)9/h1,3-4H
InChIKeyAUEULWWKSIKLEL-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.92
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-ethynylpyridine?
The IUPAC name of 3,5-dibromo-4-ethynylpyridine (CID 130936356) is 3,5-dibromo-4-ethynylpyridine.
What is the SMILES notation for 3,5-dibromo-4-ethynylpyridine?
The canonical SMILES for 3,5-dibromo-4-ethynylpyridine is C#Cc1c(Br)cncc1Br.
What is the InChIKey of 3,5-dibromo-4-ethynylpyridine?
The InChIKey is AUEULWWKSIKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N/c1-2-5-6(8)3-10-4-7(5)9/h1,3-4H.
What are the key properties of 3,5-dibromo-4-ethynylpyridine?
3,5-dibromo-4-ethynylpyridine has a molecular weight of 260.92 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-ethynylpyridine is sourced from PubChem (CID 130936356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).