2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid

C9H11NO3 — CID 91618796

IUPAC2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid
SMILESCc1ccc(OCC(=O)O)c(C)n1
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(7(2)10-6)13-5-9(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeySBGOCHHWEGYBOU-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.16
Rot. Bonds3

About 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid

2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid (PubChem CID 91618796) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid
PubChem CID91618796
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid
SMILESCc1ccc(OCC(=O)O)c(C)n1
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(7(2)10-6)13-5-9(11)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKeySBGOCHHWEGYBOU-UHFFFAOYSA-N
XLogP1.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid (CID 91618796) is 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid is Cc1ccc(OCC(=O)O)c(C)n1.
What is the InChIKey of 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid?
The InChIKey is SBGOCHHWEGYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-8(7(2)10-6)13-5-9(11)12/h3-4H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid?
2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 91618796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).