2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid

C12H15ClN2O4 — CID 118097200

IUPAC2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid
SMILESCOC1(C)CN(c2ccc(OCC(=O)O)c(Cl)n2)C1
InChIInChI=1S/C12H15ClN2O4/c1-12(18-2)6-15(7-12)9-4-3-8(11(13)14-9)19-5-10(16)17/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyLHRAXGGNEQMRAN-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.42
Rot. Bonds5

About 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid

2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid (PubChem CID 118097200) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid
PubChem CID118097200
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid
SMILESCOC1(C)CN(c2ccc(OCC(=O)O)c(Cl)n2)C1
InChIInChI=1S/C12H15ClN2O4/c1-12(18-2)6-15(7-12)9-4-3-8(11(13)14-9)19-5-10(16)17/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyLHRAXGGNEQMRAN-UHFFFAOYSA-N
XLogP1.42
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid (CID 118097200) is 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid is COC1(C)CN(c2ccc(OCC(=O)O)c(Cl)n2)C1.
What is the InChIKey of 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid?
The InChIKey is LHRAXGGNEQMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-12(18-2)6-15(7-12)9-4-3-8(11(13)14-9)19-5-10(16)17/h3-4H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid?
2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid has a molecular weight of 286.72 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(3-methoxy-3-methylazetidin-1-yl)-3-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 118097200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).