(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone

C16H14F2N2O2 — CID 122249513

IUPAC(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1cccc(OC2CN(C(=O)c3c(F)cccc3F)C2)n1
InChIInChI=1S/C16H14F2N2O2/c1-10-4-2-7-14(19-10)22-11-8-20(9-11)16(21)15-12(17)5-3-6-13(15)18/h2-7,11H,8-9H2,1H3
InChIKeyHRSXKKICBIDIBO-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.57
Rot. Bonds3

About (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone

(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 122249513) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID122249513
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1cccc(OC2CN(C(=O)c3c(F)cccc3F)C2)n1
InChIInChI=1S/C16H14F2N2O2/c1-10-4-2-7-14(19-10)22-11-8-20(9-11)16(21)15-12(17)5-3-6-13(15)18/h2-7,11H,8-9H2,1H3
InChIKeyHRSXKKICBIDIBO-UHFFFAOYSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 122249513) is (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone is Cc1cccc(OC2CN(C(=O)c3c(F)cccc3F)C2)n1.
What is the InChIKey of (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is HRSXKKICBIDIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-10-4-2-7-14(19-10)22-11-8-20(9-11)16(21)15-12(17)5-3-6-13(15)18/h2-7,11H,8-9H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 304.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122249513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).