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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Related Compounds

3-[[2-(2-carboxyethenyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylpropanoic acid
CID 79621088
3-(2-bromo-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 20984394
azane;3-bromo-2-methoxy-6-methylpyridine
CID 175713094
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropanoic acid
CID 79622347
3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid
CID 171489816
2,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 79622789
5-(2-bromophenoxy)-2,2-dimethylpentanoic acid
CID 65260015
3-(4-amino-3-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622341
3-[(3-bromo-5-methyl-2H-azepin-7-yl)oxy]-2,2-dimethylpropanoic acid
CID 126629922
3-(4-iodophenoxy)-2,2-dimethylpropanoic acid
CID 79622093
3-[2-bromo-4-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629204
5-(4-bromo-3-methylphenoxy)-2,2-dimethylpentanoic acid
CID 83134209

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).