5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride

C10H14BrClN2O — CID 71636388

IUPAC5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
SMILESBrc1ccc(OCC2CCNC2)nc1.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c11-9-1-2-10(13-6-9)14-7-8-3-4-12-5-8;/h1-2,6,8,12H,3-5,7H2;1H
InChIKeyONNQHNYPHQGFOC-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride

5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride (PubChem CID 71636388) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
PubChem CID71636388
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
SMILESBrc1ccc(OCC2CCNC2)nc1.Cl
InChIInChI=1S/C10H13BrN2O.ClH/c11-9-1-2-10(13-6-9)14-7-8-3-4-12-5-8;/h1-2,6,8,12H,3-5,7H2;1H
InChIKeyONNQHNYPHQGFOC-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride?
The IUPAC name of 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride (CID 71636388) is 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride.
What is the SMILES notation for 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride?
The canonical SMILES for 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride is Brc1ccc(OCC2CCNC2)nc1.Cl.
What is the InChIKey of 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride?
The InChIKey is ONNQHNYPHQGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O.ClH/c11-9-1-2-10(13-6-9)14-7-8-3-4-12-5-8;/h1-2,6,8,12H,3-5,7H2;1H.
What are the key properties of 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride?
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride has a molecular weight of 293.59 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride is sourced from PubChem (CID 71636388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).