5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one

C14H11ClN2O4 — CID 122248419

IUPAC5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H11ClN2O4/c15-10-2-3-12(16-5-10)21-11-6-17(7-11)14(19)9-1-4-13(18)20-8-9/h1-5,8,11H,6-7H2
InChIKeyKSTFHEBIWCCDQA-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.59
Rot. Bonds3

About 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one

5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one (PubChem CID 122248419) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one
PubChem CID122248419
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one
SMILESO=C(c1ccc(=O)oc1)N1CC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H11ClN2O4/c15-10-2-3-12(16-5-10)21-11-6-17(7-11)14(19)9-1-4-13(18)20-8-9/h1-5,8,11H,6-7H2
InChIKeyKSTFHEBIWCCDQA-UHFFFAOYSA-N
XLogP1.59
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298
5-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyran-2-one
CID 122251923
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
4-chloro-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122248284
5-(4-pyrazin-2-yloxypiperidine-1-carbonyl)pyran-2-one
CID 90559065
2-(4-chlorophenoxy)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248347
(5-chloro-2-nitrophenyl)-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122248331
2-(2-chlorophenyl)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248418
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
CID 121162543
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one (CID 122248419) is 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one is O=C(c1ccc(=O)oc1)N1CC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one?
The InChIKey is KSTFHEBIWCCDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-10-2-3-12(16-5-10)21-11-6-17(7-11)14(19)9-1-4-13(18)20-8-9/h1-5,8,11H,6-7H2.
What are the key properties of 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one?
5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one has a molecular weight of 306.71 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 122248419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).