2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine

C15H23BrN2O — CID 113371357

IUPAC2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
SMILESCC(C)Oc1cccnc1N1CCCC1CCCBr
InChIInChI=1S/C15H23BrN2O/c1-12(2)19-14-8-4-10-17-15(14)18-11-5-7-13(18)6-3-9-16/h4,8,10,12-13H,3,5-7,9,11H2,1-2H3
InChIKeyXGFJMCSTLSZUOE-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.01
Rot. Bonds6

About 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine

2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine (PubChem CID 113371357) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
PubChem CID113371357
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine
SMILESCC(C)Oc1cccnc1N1CCCC1CCCBr
InChIInChI=1S/C15H23BrN2O/c1-12(2)19-14-8-4-10-17-15(14)18-11-5-7-13(18)6-3-9-16/h4,8,10,12-13H,3,5-7,9,11H2,1-2H3
InChIKeyXGFJMCSTLSZUOE-UHFFFAOYSA-N
XLogP4.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine?
The IUPAC name of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine (CID 113371357) is 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine.
What is the SMILES notation for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine?
The canonical SMILES for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine is CC(C)Oc1cccnc1N1CCCC1CCCBr.
What is the InChIKey of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine?
The InChIKey is XGFJMCSTLSZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12(2)19-14-8-4-10-17-15(14)18-11-5-7-13(18)6-3-9-16/h4,8,10,12-13H,3,5-7,9,11H2,1-2H3.
What are the key properties of 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine?
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine has a molecular weight of 327.27 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-propan-2-yloxypyridine is sourced from PubChem (CID 113371357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).