4-bromo-3-(2-bromoethyl)pyridine

C7H7Br2N — CID 174298018

IUPAC4-bromo-3-(2-bromoethyl)pyridine
SMILESBrCCc1cnccc1Br
InChIInChI=1S/C7H7Br2N/c8-3-1-6-5-10-4-2-7(6)9/h2,4-5H,1,3H2
InChIKeySCMXSPXRGOURSV-UHFFFAOYSA-N
MW264.95 g/mol
LogP2.78
Rot. Bonds2

About 4-bromo-3-(2-bromoethyl)pyridine

4-bromo-3-(2-bromoethyl)pyridine (PubChem CID 174298018) has the molecular formula C7H7Br2N and a molecular weight of 264.95 g/mol. Its IUPAC name is 4-bromo-3-(2-bromoethyl)pyridine.

Molecular Properties

Compound Name4-bromo-3-(2-bromoethyl)pyridine
PubChem CID174298018
Molecular FormulaC7H7Br2N
Molecular Weight264.95 g/mol
Exact Mass262.89
IUPAC Name4-bromo-3-(2-bromoethyl)pyridine
SMILESBrCCc1cnccc1Br
InChIInChI=1S/C7H7Br2N/c8-3-1-6-5-10-4-2-7(6)9/h2,4-5H,1,3H2
InChIKeySCMXSPXRGOURSV-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.95
LogP ≤ 52.78
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 4-bromo-3-(2-bromoethyl)pyridine?
The IUPAC name of 4-bromo-3-(2-bromoethyl)pyridine (CID 174298018) is 4-bromo-3-(2-bromoethyl)pyridine.
What is the SMILES notation for 4-bromo-3-(2-bromoethyl)pyridine?
The canonical SMILES for 4-bromo-3-(2-bromoethyl)pyridine is BrCCc1cnccc1Br.
What is the InChIKey of 4-bromo-3-(2-bromoethyl)pyridine?
The InChIKey is SCMXSPXRGOURSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N/c8-3-1-6-5-10-4-2-7(6)9/h2,4-5H,1,3H2.
What are the key properties of 4-bromo-3-(2-bromoethyl)pyridine?
4-bromo-3-(2-bromoethyl)pyridine has a molecular weight of 264.95 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-bromoethyl)pyridine is sourced from PubChem (CID 174298018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).