[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone

C16H15FN2O2 — CID 134795184

IUPAC[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cc(OC2CN(C(=O)c3ccccn3)C2)ccc1F
InChIInChI=1S/C16H15FN2O2/c1-11-8-12(5-6-14(11)17)21-13-9-19(10-13)16(20)15-4-2-3-7-18-15/h2-8,13H,9-10H2,1H3
InChIKeyQJDAUZBXYZEUBA-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.43
Rot. Bonds3

About [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone

[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 134795184) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID134795184
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cc(OC2CN(C(=O)c3ccccn3)C2)ccc1F
InChIInChI=1S/C16H15FN2O2/c1-11-8-12(5-6-14(11)17)21-13-9-19(10-13)16(20)15-4-2-3-7-18-15/h2-8,13H,9-10H2,1H3
InChIKeyQJDAUZBXYZEUBA-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone (CID 134795184) is [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone is Cc1cc(OC2CN(C(=O)c3ccccn3)C2)ccc1F.
What is the InChIKey of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QJDAUZBXYZEUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11-8-12(5-6-14(11)17)21-13-9-19(10-13)16(20)15-4-2-3-7-18-15/h2-8,13H,9-10H2,1H3.
What are the key properties of [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 286.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 134795184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).