2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine

C12H18N2O — CID 102539345

IUPAC2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine
SMILESCCOc1ccc(C2CCCN2C)cn1
InChIInChI=1S/C12H18N2O/c1-3-15-12-7-6-10(9-13-12)11-5-4-8-14(11)2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyVXSBBWMXJVGDCY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.25
Rot. Bonds3

About 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine

2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine (PubChem CID 102539345) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine
PubChem CID102539345
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine
SMILESCCOc1ccc(C2CCCN2C)cn1
InChIInChI=1S/C12H18N2O/c1-3-15-12-7-6-10(9-13-12)11-5-4-8-14(11)2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyVXSBBWMXJVGDCY-UHFFFAOYSA-N
XLogP2.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine (CID 102539345) is 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine is CCOc1ccc(C2CCCN2C)cn1.
What is the InChIKey of 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine?
The InChIKey is VXSBBWMXJVGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-15-12-7-6-10(9-13-12)11-5-4-8-14(11)2/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine?
2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine has a molecular weight of 206.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(1-methylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 102539345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).