2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid

C9H9Cl2NO3 — CID 22769944

IUPAC2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid
SMILESCc1nc(OC(C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-4-6(10)3-7(11)8(12-4)15-5(2)9(13)14/h3,5H,1-2H3,(H,13,14)
InChIKeyTTZJRIQFIPXMAG-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.55
Rot. Bonds3

About 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid

2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid (PubChem CID 22769944) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid
PubChem CID22769944
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid
SMILESCc1nc(OC(C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-4-6(10)3-7(11)8(12-4)15-5(2)9(13)14/h3,5H,1-2H3,(H,13,14)
InChIKeyTTZJRIQFIPXMAG-UHFFFAOYSA-N
XLogP2.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid?
The IUPAC name of 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid (CID 22769944) is 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid.
What is the SMILES notation for 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid?
The canonical SMILES for 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid is Cc1nc(OC(C)C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid?
The InChIKey is TTZJRIQFIPXMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-4-6(10)3-7(11)8(12-4)15-5(2)9(13)14/h3,5H,1-2H3,(H,13,14).
What are the key properties of 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid?
2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid has a molecular weight of 250.08 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid is sourced from PubChem (CID 22769944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).