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

C12H13BrN2O2 — CID 122249860

IUPAC[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C12H13BrN2O2/c13-10-2-1-5-14-11(10)17-9-6-15(7-9)12(16)8-3-4-8/h1-2,5,8-9H,3-4,6-7H2
InChIKeyFWWYMBJWEWZQIX-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.84
Rot. Bonds3

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

[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone (PubChem CID 122249860) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
PubChem CID122249860
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C12H13BrN2O2/c13-10-2-1-5-14-11(10)17-9-6-15(7-9)12(16)8-3-4-8/h1-2,5,8-9H,3-4,6-7H2
InChIKeyFWWYMBJWEWZQIX-UHFFFAOYSA-N
XLogP1.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122249987
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 122249984
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-cyclopentylsulfanylethanone
CID 122249796
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-thiophen-2-ylethanone
CID 122249966
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251019
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122250028
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-4-phenylbutan-1-one
CID 122249968

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone (CID 122249860) is [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CC(Oc2ncccc2Br)C1.
What is the InChIKey of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone?
The InChIKey is FWWYMBJWEWZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-2-1-5-14-11(10)17-9-6-15(7-9)12(16)8-3-4-8/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone?
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone has a molecular weight of 297.15 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 122249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).