(2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid

C14H11Cl2NO4 — CID 728696

IUPAC(2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeySVGBNTOHFITEDI-MRVPVSSYSA-N
MW328.15 g/mol
LogP4.03
Rot. Bonds5

About (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid

(2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid (PubChem CID 728696) has the molecular formula C14H11Cl2NO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid
PubChem CID728696
Molecular FormulaC14H11Cl2NO4
Molecular Weight328.15 g/mol
Exact Mass327.01
IUPAC Name(2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeySVGBNTOHFITEDI-MRVPVSSYSA-N
XLogP4.03
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid (CID 728696) is (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid is C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
The InChIKey is SVGBNTOHFITEDI-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid?
(2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid has a molecular weight of 328.15 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoic acid is sourced from PubChem (CID 728696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).