3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one

C10H10ClNO3 — CID 104673495

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one
SMILESCOC1C(=O)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-14-10-8(13)3-9(10)15-7-2-6(11)4-12-5-7/h2,4-5,9-10H,3H2,1H3
InChIKeyTVZZXUUIENRGBC-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.47
Rot. Bonds3

About 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one

3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one (PubChem CID 104673495) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one
PubChem CID104673495
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one
SMILESCOC1C(=O)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C10H10ClNO3/c1-14-10-8(13)3-9(10)15-7-2-6(11)4-12-5-7/h2,4-5,9-10H,3H2,1H3
InChIKeyTVZZXUUIENRGBC-UHFFFAOYSA-N
XLogP1.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one (CID 104673495) is 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one is COC1C(=O)CC1Oc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one?
The InChIKey is TVZZXUUIENRGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-14-10-8(13)3-9(10)15-7-2-6(11)4-12-5-7/h2,4-5,9-10H,3H2,1H3.
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one?
3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one has a molecular weight of 227.65 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxy]-2-methoxycyclobutan-1-one is sourced from PubChem (CID 104673495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).