2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C11H14F2N2O — CID 21345218

IUPAC2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1ccc(C(F)F)nc1
InChIInChI=1S/C11H14F2N2O/c1-15-5-4-8(15)7-16-9-2-3-10(11(12)13)14-6-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyORIZNJNVTJEGGF-QMMMGPOBSA-N
MW228.24 g/mol
LogP2.10
Rot. Bonds4

About 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 21345218) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID21345218
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1ccc(C(F)F)nc1
InChIInChI=1S/C11H14F2N2O/c1-15-5-4-8(15)7-16-9-2-3-10(11(12)13)14-6-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyORIZNJNVTJEGGF-QMMMGPOBSA-N
XLogP2.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 21345218) is 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1ccc(C(F)F)nc1.
What is the InChIKey of 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is ORIZNJNVTJEGGF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-15-5-4-8(15)7-16-9-2-3-10(11(12)13)14-6-9/h2-3,6,8,11H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 228.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 21345218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).