3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid

C17H17ClN2O4 — CID 67536505

IUPAC3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CCOc2cccc(Oc3ccc(Cl)cn3)c2)C1
InChIInChI=1S/C17H17ClN2O4/c18-13-4-5-16(19-9-13)24-15-3-1-2-14(8-15)23-7-6-12-10-20(11-12)17(21)22/h1-5,8-9,12H,6-7,10-11H2,(H,21,22)
InChIKeyDSLZGXCPTYTUHK-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.91
Rot. Bonds6

About 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid

3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid (PubChem CID 67536505) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid
PubChem CID67536505
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CCOc2cccc(Oc3ccc(Cl)cn3)c2)C1
InChIInChI=1S/C17H17ClN2O4/c18-13-4-5-16(19-9-13)24-15-3-1-2-14(8-15)23-7-6-12-10-20(11-12)17(21)22/h1-5,8-9,12H,6-7,10-11H2,(H,21,22)
InChIKeyDSLZGXCPTYTUHK-UHFFFAOYSA-N
XLogP3.91
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid (CID 67536505) is 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid is O=C(O)N1CC(CCOc2cccc(Oc3ccc(Cl)cn3)c2)C1.
What is the InChIKey of 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid?
The InChIKey is DSLZGXCPTYTUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c18-13-4-5-16(19-9-13)24-15-3-1-2-14(8-15)23-7-6-12-10-20(11-12)17(21)22/h1-5,8-9,12H,6-7,10-11H2,(H,21,22).
What are the key properties of 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid?
3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid has a molecular weight of 348.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(5-chloro-2-pyridinyl)oxy]phenoxy]ethyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 67536505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).