2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine

C12H14F2N2O — CID 141352093

IUPAC2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
SMILESFC1(F)CN(c2cccnc2OCC2CC2)C1
InChIInChI=1S/C12H14F2N2O/c13-12(14)7-16(8-12)10-2-1-5-15-11(10)17-6-9-3-4-9/h1-2,5,9H,3-4,6-8H2
InChIKeyYGRIUTQJWXQOFQ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.33
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine

2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine (PubChem CID 141352093) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
PubChem CID141352093
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
SMILESFC1(F)CN(c2cccnc2OCC2CC2)C1
InChIInChI=1S/C12H14F2N2O/c13-12(14)7-16(8-12)10-2-1-5-15-11(10)17-6-9-3-4-9/h1-2,5,9H,3-4,6-8H2
InChIKeyYGRIUTQJWXQOFQ-UHFFFAOYSA-N
XLogP2.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
The IUPAC name of 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine (CID 141352093) is 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine is FC1(F)CN(c2cccnc2OCC2CC2)C1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
The InChIKey is YGRIUTQJWXQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-12(14)7-16(8-12)10-2-1-5-15-11(10)17-6-9-3-4-9/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine?
2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine has a molecular weight of 240.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine is sourced from PubChem (CID 141352093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).