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

C11H12ClNO2 — CID 66368706

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-11(2)9(14)4-10(11)15-8-3-7(12)5-13-6-8/h3,5-6,10H,4H2,1-2H3
InChIKeyVDBRRXAKEAOLIF-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.48
Rot. Bonds2

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

3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one (PubChem CID 66368706) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one
PubChem CID66368706
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1cncc(Cl)c1
InChIInChI=1S/C11H12ClNO2/c1-11(2)9(14)4-10(11)15-8-3-7(12)5-13-6-8/h3,5-6,10H,4H2,1-2H3
InChIKeyVDBRRXAKEAOLIF-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one (CID 66368706) is 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one is CC1(C)C(=O)CC1Oc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one?
The InChIKey is VDBRRXAKEAOLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-11(2)9(14)4-10(11)15-8-3-7(12)5-13-6-8/h3,5-6,10H,4H2,1-2H3.
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one?
3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one has a molecular weight of 225.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-pyridinyl)oxy]-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 66368706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).