5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine

C13H16F2N2O2 — CID 133465210

IUPAC5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
SMILESC=CCOC1CCN(c2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C13H16F2N2O2/c1-2-7-18-11-5-6-17(9-11)12-4-3-10(8-16-12)19-13(14)15/h2-4,8,11,13H,1,5-7,9H2
InChIKeyIUKOXHYXXJRQGN-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.46
Rot. Bonds6

About 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine

5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine (PubChem CID 133465210) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
PubChem CID133465210
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine
SMILESC=CCOC1CCN(c2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C13H16F2N2O2/c1-2-7-18-11-5-6-17(9-11)12-4-3-10(8-16-12)19-13(14)15/h2-4,8,11,13H,1,5-7,9H2
InChIKeyIUKOXHYXXJRQGN-UHFFFAOYSA-N
XLogP2.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
The IUPAC name of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine (CID 133465210) is 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine is C=CCOC1CCN(c2ccc(OC(F)F)cn2)C1.
What is the InChIKey of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
The InChIKey is IUKOXHYXXJRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-2-7-18-11-5-6-17(9-11)12-4-3-10(8-16-12)19-13(14)15/h2-4,8,11,13H,1,5-7,9H2.
What are the key properties of 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine?
5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine has a molecular weight of 270.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2-(3-prop-2-enoxypyrrolidin-1-yl)pyridine is sourced from PubChem (CID 133465210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).