1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone

C14H13BrN4O2 — CID 58073107

IUPAC1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)N1CC(Oc2ccc(Br)cn2)C1
InChIInChI=1S/C14H13BrN4O2/c15-10-3-4-13(16-7-10)21-12-8-19(9-12)14(20)6-11-2-1-5-17-18-11/h1-5,7,12H,6,8-9H2
InChIKeySMCUKMQGIYEZAN-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.47
Rot. Bonds4

About 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone

1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone (PubChem CID 58073107) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
PubChem CID58073107
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)N1CC(Oc2ccc(Br)cn2)C1
InChIInChI=1S/C14H13BrN4O2/c15-10-3-4-13(16-7-10)21-12-8-19(9-12)14(20)6-11-2-1-5-17-18-11/h1-5,7,12H,6,8-9H2
InChIKeySMCUKMQGIYEZAN-UHFFFAOYSA-N
XLogP1.47
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The IUPAC name of 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone (CID 58073107) is 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone is O=C(Cc1cccnn1)N1CC(Oc2ccc(Br)cn2)C1.
What is the InChIKey of 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
The InChIKey is SMCUKMQGIYEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c15-10-3-4-13(16-7-10)21-12-8-19(9-12)14(20)6-11-2-1-5-17-18-11/h1-5,7,12H,6,8-9H2.
What are the key properties of 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone?
1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone has a molecular weight of 349.19 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-pyridazin-3-ylethanone is sourced from PubChem (CID 58073107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).