2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid

C10H11F2NO2 — CID 130545054

IUPAC2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ncc(F)cc1F
InChIInChI=1S/C10H11F2NO2/c1-3-10(2,9(14)15)8-7(12)4-6(11)5-13-8/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyTYGYRNDXBCLCLP-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.11
Rot. Bonds3

About 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid

2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid (PubChem CID 130545054) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid
PubChem CID130545054
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)c1ncc(F)cc1F
InChIInChI=1S/C10H11F2NO2/c1-3-10(2,9(14)15)8-7(12)4-6(11)5-13-8/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyTYGYRNDXBCLCLP-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid?
The IUPAC name of 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid (CID 130545054) is 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid is CCC(C)(C(=O)O)c1ncc(F)cc1F.
What is the InChIKey of 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid?
The InChIKey is TYGYRNDXBCLCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-3-10(2,9(14)15)8-7(12)4-6(11)5-13-8/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid?
2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid has a molecular weight of 215.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid is sourced from PubChem (CID 130545054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).