3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride

C11H17Cl3N2O — CID 23223043

IUPAC3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride
SMILESCC(Oc1cncc(Cl)c1)N1CCCC1.Cl.Cl
InChIInChI=1S/C11H15ClN2O.2ClH/c1-9(14-4-2-3-5-14)15-11-6-10(12)7-13-8-11;;/h6-9H,2-5H2,1H3;2*1H
InChIKeyIBCOFWOXEOJKAC-UHFFFAOYSA-N
MW299.63 g/mol
LogP3.40
Rot. Bonds3

About 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride

3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride (PubChem CID 23223043) has the molecular formula C11H17Cl3N2O and a molecular weight of 299.63 g/mol. Its IUPAC name is 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride.

Molecular Properties

Compound Name3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride
PubChem CID23223043
Molecular FormulaC11H17Cl3N2O
Molecular Weight299.63 g/mol
Exact Mass298.04
IUPAC Name3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride
SMILESCC(Oc1cncc(Cl)c1)N1CCCC1.Cl.Cl
InChIInChI=1S/C11H15ClN2O.2ClH/c1-9(14-4-2-3-5-14)15-11-6-10(12)7-13-8-11;;/h6-9H,2-5H2,1H3;2*1H
InChIKeyIBCOFWOXEOJKAC-UHFFFAOYSA-N
XLogP3.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.63
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride?
The IUPAC name of 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride (CID 23223043) is 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride.
What is the SMILES notation for 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride?
The canonical SMILES for 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride is CC(Oc1cncc(Cl)c1)N1CCCC1.Cl.Cl.
What is the InChIKey of 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride?
The InChIKey is IBCOFWOXEOJKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.2ClH/c1-9(14-4-2-3-5-14)15-11-6-10(12)7-13-8-11;;/h6-9H,2-5H2,1H3;2*1H.
What are the key properties of 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride?
3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride has a molecular weight of 299.63 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride is sourced from PubChem (CID 23223043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).