2,3-dimethoxy-4-pyrrolidin-3-ylpyridine

C11H16N2O2 — CID 84676139

IUPAC2,3-dimethoxy-4-pyrrolidin-3-ylpyridine
SMILESCOc1nccc(C2CCNC2)c1OC
InChIInChI=1S/C11H16N2O2/c1-14-10-9(8-3-5-12-7-8)4-6-13-11(10)15-2/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyOIEZPTBADXUDGF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.18
Rot. Bonds3

About 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine

2,3-dimethoxy-4-pyrrolidin-3-ylpyridine (PubChem CID 84676139) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine.

Molecular Properties

Compound Name2,3-dimethoxy-4-pyrrolidin-3-ylpyridine
PubChem CID84676139
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,3-dimethoxy-4-pyrrolidin-3-ylpyridine
SMILESCOc1nccc(C2CCNC2)c1OC
InChIInChI=1S/C11H16N2O2/c1-14-10-9(8-3-5-12-7-8)4-6-13-11(10)15-2/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyOIEZPTBADXUDGF-UHFFFAOYSA-N
XLogP1.18
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine?
The IUPAC name of 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine (CID 84676139) is 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine.
What is the SMILES notation for 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine?
The canonical SMILES for 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine is COc1nccc(C2CCNC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine?
The InChIKey is OIEZPTBADXUDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-14-10-9(8-3-5-12-7-8)4-6-13-11(10)15-2/h4,6,8,12H,3,5,7H2,1-2H3.
What are the key properties of 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine?
2,3-dimethoxy-4-pyrrolidin-3-ylpyridine has a molecular weight of 208.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-pyrrolidin-3-ylpyridine is sourced from PubChem (CID 84676139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).