2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid

C9H10ClNO3 — CID 71739073

IUPAC2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-9(2,8(12)13)14-6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H,12,13)
InChIKeyDKEWJMBABZVBBM-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.98
Rot. Bonds3

About 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid

2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid (PubChem CID 71739073) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
PubChem CID71739073
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(Cl)nc1)C(=O)O
InChIInChI=1S/C9H10ClNO3/c1-9(2,8(12)13)14-6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H,12,13)
InChIKeyDKEWJMBABZVBBM-UHFFFAOYSA-N
XLogP1.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic 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 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid (CID 71739073) is 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(Cl)nc1)C(=O)O.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid?
The InChIKey is DKEWJMBABZVBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-9(2,8(12)13)14-6-3-4-7(10)11-5-6/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid?
2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid has a molecular weight of 215.64 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid is sourced from PubChem (CID 71739073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).