3-pyrrolidin-3-yloxypyridine;dihydrochloride

C9H14Cl2N2O — CID 22989736

IUPAC3-pyrrolidin-3-yloxypyridine;dihydrochloride
SMILESCl.Cl.c1cncc(OC2CCNC2)c1
InChIInChI=1S/C9H12N2O.2ClH/c1-2-8(6-10-4-1)12-9-3-5-11-7-9;;/h1-2,4,6,9,11H,3,5,7H2;2*1H
InChIKeyXSMRBFRKYHCOKP-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.67
Rot. Bonds2

About 3-pyrrolidin-3-yloxypyridine;dihydrochloride

3-pyrrolidin-3-yloxypyridine;dihydrochloride (PubChem CID 22989736) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-pyrrolidin-3-yloxypyridine;dihydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-3-yloxypyridine;dihydrochloride
PubChem CID22989736
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name3-pyrrolidin-3-yloxypyridine;dihydrochloride
SMILESCl.Cl.c1cncc(OC2CCNC2)c1
InChIInChI=1S/C9H12N2O.2ClH/c1-2-8(6-10-4-1)12-9-3-5-11-7-9;;/h1-2,4,6,9,11H,3,5,7H2;2*1H
InChIKeyXSMRBFRKYHCOKP-UHFFFAOYSA-N
XLogP1.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yloxypyridine;dihydrochloride?
The IUPAC name of 3-pyrrolidin-3-yloxypyridine;dihydrochloride (CID 22989736) is 3-pyrrolidin-3-yloxypyridine;dihydrochloride.
What is the SMILES notation for 3-pyrrolidin-3-yloxypyridine;dihydrochloride?
The canonical SMILES for 3-pyrrolidin-3-yloxypyridine;dihydrochloride is Cl.Cl.c1cncc(OC2CCNC2)c1.
What is the InChIKey of 3-pyrrolidin-3-yloxypyridine;dihydrochloride?
The InChIKey is XSMRBFRKYHCOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c1-2-8(6-10-4-1)12-9-3-5-11-7-9;;/h1-2,4,6,9,11H,3,5,7H2;2*1H.
What are the key properties of 3-pyrrolidin-3-yloxypyridine;dihydrochloride?
3-pyrrolidin-3-yloxypyridine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yloxypyridine;dihydrochloride is sourced from PubChem (CID 22989736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).