1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone

C17H13BrN2O3 — CID 122249981

IUPAC1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C17H13BrN2O3/c18-13-5-3-7-19-16(13)22-12-9-20(10-12)17(21)15-8-11-4-1-2-6-14(11)23-15/h1-8,12H,9-10H2
InChIKeySDPAMZKSJKFSAE-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.49
Rot. Bonds3

About 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone

1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 122249981) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID122249981
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C17H13BrN2O3/c18-13-5-3-7-19-16(13)22-12-9-20(10-12)17(21)15-8-11-4-1-2-6-14(11)23-15/h1-8,12H,9-10H2
InChIKeySDPAMZKSJKFSAE-UHFFFAOYSA-N
XLogP3.49
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone (CID 122249981) is 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CC(Oc2ncccc2Br)C1.
What is the InChIKey of 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is SDPAMZKSJKFSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c18-13-5-3-7-19-16(13)22-12-9-20(10-12)17(21)15-8-11-4-1-2-6-14(11)23-15/h1-8,12H,9-10H2.
What are the key properties of 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone?
1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 373.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 122249981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).