3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine

C11H15BrN2O — CID 114796523

IUPAC3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
SMILESBrc1cccnc1OCCC1CCNC1
InChIInChI=1S/C11H15BrN2O/c12-10-2-1-5-14-11(10)15-7-4-9-3-6-13-8-9/h1-2,5,9,13H,3-4,6-8H2
InChIKeyWXPFONBFXAYNBE-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.22
Rot. Bonds4

About 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine

3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine (PubChem CID 114796523) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
PubChem CID114796523
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
SMILESBrc1cccnc1OCCC1CCNC1
InChIInChI=1S/C11H15BrN2O/c12-10-2-1-5-14-11(10)15-7-4-9-3-6-13-8-9/h1-2,5,9,13H,3-4,6-8H2
InChIKeyWXPFONBFXAYNBE-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
3-bromo-2-(2-cyclobutylethoxy)pyridine
CID 106203696
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
2-(2-piperidin-4-ylethoxy)pyridin-3-ol;hydrochloride
CID 71646434
4-(2-pyrrolidin-3-ylethoxy)pyrazolo[1,5-a]pyrazine
CID 114796406
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855
(3S)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320896
(3R)-3-[2-(2-bromophenoxy)ethyl]piperidine
CID 86320898
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine?
The IUPAC name of 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine (CID 114796523) is 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine?
The canonical SMILES for 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine is Brc1cccnc1OCCC1CCNC1.
What is the InChIKey of 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine?
The InChIKey is WXPFONBFXAYNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-2-1-5-14-11(10)15-7-4-9-3-6-13-8-9/h1-2,5,9,13H,3-4,6-8H2.
What are the key properties of 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine?
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine has a molecular weight of 271.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine is sourced from PubChem (CID 114796523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).