3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid

C11H14BrNO3 — CID 175998774

IUPAC3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid
SMILESCc1ccc(Br)c(OCC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H14BrNO3/c1-7-4-5-8(12)9(13-7)16-6-11(2,3)10(14)15/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyBHHAVEKUJWKGEK-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid

3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid (PubChem CID 175998774) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid
PubChem CID175998774
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid
SMILESCc1ccc(Br)c(OCC(C)(C)C(=O)O)n1
InChIInChI=1S/C11H14BrNO3/c1-7-4-5-8(12)9(13-7)16-6-11(2,3)10(14)15/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyBHHAVEKUJWKGEK-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid (CID 175998774) is 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid is Cc1ccc(Br)c(OCC(C)(C)C(=O)O)n1.
What is the InChIKey of 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid?
The InChIKey is BHHAVEKUJWKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7-4-5-8(12)9(13-7)16-6-11(2,3)10(14)15/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid?
3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid has a molecular weight of 288.14 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-6-methyl-2-pyridinyl)oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 175998774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).