3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid

C13H11F2NO2 — CID 82244963

IUPAC3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cc(F)cc(F)c2n1)C(=O)O
InChIInChI=1S/C13H11F2NO2/c1-7(13(17)18)4-10-3-2-8-5-9(14)6-11(15)12(8)16-10/h2-3,5-7H,4H2,1H3,(H,17,18)
InChIKeyYPAWWXMDAKQDME-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.78
Rot. Bonds3

About 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid

3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid (PubChem CID 82244963) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid
PubChem CID82244963
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cc(F)cc(F)c2n1)C(=O)O
InChIInChI=1S/C13H11F2NO2/c1-7(13(17)18)4-10-3-2-8-5-9(14)6-11(15)12(8)16-10/h2-3,5-7H,4H2,1H3,(H,17,18)
InChIKeyYPAWWXMDAKQDME-UHFFFAOYSA-N
XLogP2.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid (CID 82244963) is 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid is CC(Cc1ccc2cc(F)cc(F)c2n1)C(=O)O.
What is the InChIKey of 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid?
The InChIKey is YPAWWXMDAKQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-7(13(17)18)4-10-3-2-8-5-9(14)6-11(15)12(8)16-10/h2-3,5-7H,4H2,1H3,(H,17,18).
What are the key properties of 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid?
3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid has a molecular weight of 251.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82244963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).