2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine

C13H13BrN2O — CID 23506266

IUPAC2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine
SMILESBrc1ncccc1OCCCc1cccnc1
InChIInChI=1S/C13H13BrN2O/c14-13-12(6-2-8-16-13)17-9-3-5-11-4-1-7-15-10-11/h1-2,4,6-8,10H,3,5,9H2
InChIKeyNNRXTVUOQXJSDF-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.25
Rot. Bonds5

About 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine

2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine (PubChem CID 23506266) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine.

Molecular Properties

Compound Name2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine
PubChem CID23506266
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine
SMILESBrc1ncccc1OCCCc1cccnc1
InChIInChI=1S/C13H13BrN2O/c14-13-12(6-2-8-16-13)17-9-3-5-11-4-1-7-15-10-11/h1-2,4,6-8,10H,3,5,9H2
InChIKeyNNRXTVUOQXJSDF-UHFFFAOYSA-N
XLogP3.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)sulfanyl-3-(4-pyridin-3-ylbutoxy)pyridine
CID 12051152
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
CID 58450299
CID 58450299
3-[3-(2-bromo-4-propan-2-ylphenoxy)propyl]pyridine
CID 642852
2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
2-(3-bromophenyl)sulfanyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 15895870
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
3-[3-(2-pyridin-3-ylethoxy)-2-pyridinyl]phenol
CID 171833507
2-bromo-3-(3-methylsulfonylpropoxy)pyridine
CID 63239076
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine?
The IUPAC name of 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine (CID 23506266) is 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine.
What is the SMILES notation for 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine?
The canonical SMILES for 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine is Brc1ncccc1OCCCc1cccnc1.
What is the InChIKey of 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine?
The InChIKey is NNRXTVUOQXJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-13-12(6-2-8-16-13)17-9-3-5-11-4-1-7-15-10-11/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine?
2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine has a molecular weight of 293.16 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-pyridin-3-ylpropoxy)pyridine is sourced from PubChem (CID 23506266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).