2-(1-bromoethyl)-5-chloropyridine

C7H7BrClN — CID 58279845

IUPAC2-(1-bromoethyl)-5-chloropyridine
SMILESCC(Br)c1ccc(Cl)cn1
InChIInChI=1S/C7H7BrClN/c1-5(8)7-3-2-6(9)4-10-7/h2-5H,1H3
InChIKeyYAEGOJJLYKVGKD-UHFFFAOYSA-N
MW220.50 g/mol
LogP3.19
Rot. Bonds1

About 2-(1-bromoethyl)-5-chloropyridine

2-(1-bromoethyl)-5-chloropyridine (PubChem CID 58279845) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 2-(1-bromoethyl)-5-chloropyridine.

Molecular Properties

Compound Name2-(1-bromoethyl)-5-chloropyridine
PubChem CID58279845
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name2-(1-bromoethyl)-5-chloropyridine
SMILESCC(Br)c1ccc(Cl)cn1
InChIInChI=1S/C7H7BrClN/c1-5(8)7-3-2-6(9)4-10-7/h2-5H,1H3
InChIKeyYAEGOJJLYKVGKD-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 53.19
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 2-(1-bromoethyl)-5-chloropyridine?
The IUPAC name of 2-(1-bromoethyl)-5-chloropyridine (CID 58279845) is 2-(1-bromoethyl)-5-chloropyridine.
What is the SMILES notation for 2-(1-bromoethyl)-5-chloropyridine?
The canonical SMILES for 2-(1-bromoethyl)-5-chloropyridine is CC(Br)c1ccc(Cl)cn1.
What is the InChIKey of 2-(1-bromoethyl)-5-chloropyridine?
The InChIKey is YAEGOJJLYKVGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-5(8)7-3-2-6(9)4-10-7/h2-5H,1H3.
What are the key properties of 2-(1-bromoethyl)-5-chloropyridine?
2-(1-bromoethyl)-5-chloropyridine has a molecular weight of 220.50 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-5-chloropyridine is sourced from PubChem (CID 58279845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).