[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone

C22H17BrN2O3 — CID 122249984

IUPAC[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C22H17BrN2O3/c23-17-8-5-11-24-21(17)27-14-12-25(13-14)22(26)20-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)20/h1-11,14,20H,12-13H2
InChIKeyGOCZPNOFANYMMW-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.37
Rot. Bonds3

About [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone

[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone (PubChem CID 122249984) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone
PubChem CID122249984
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC Name[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C22H17BrN2O3/c23-17-8-5-11-24-21(17)27-14-12-25(13-14)22(26)20-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)20/h1-11,14,20H,12-13H2
InChIKeyGOCZPNOFANYMMW-UHFFFAOYSA-N
XLogP4.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249981
4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122249987
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-thiophen-2-ylethanone
CID 122249966
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122250028
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-4-phenylbutan-1-one
CID 122249968
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-2-cyclopentylsulfanylethanone
CID 122249796
(E)-1-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 122249803
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122249899
3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 122250074

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?
The IUPAC name of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone (CID 122249984) is [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?
The canonical SMILES for [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CC(Oc2ncccc2Br)C1.
What is the InChIKey of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?
The InChIKey is GOCZPNOFANYMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c23-17-8-5-11-24-21(17)27-14-12-25(13-14)22(26)20-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)20/h1-11,14,20H,12-13H2.
What are the key properties of [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone?
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone has a molecular weight of 437.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 122249984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).