3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid

C13H12FNO2 — CID 82243062

IUPAC3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2ccc(F)cc2n1)C(=O)O
InChIInChI=1S/C13H12FNO2/c1-8(13(16)17)6-11-5-3-9-2-4-10(14)7-12(9)15-11/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyVVCRXGSZLXBNSG-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.64
Rot. Bonds3

About 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid

3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid (PubChem CID 82243062) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
PubChem CID82243062
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2ccc(F)cc2n1)C(=O)O
InChIInChI=1S/C13H12FNO2/c1-8(13(16)17)6-11-5-3-9-2-4-10(14)7-12(9)15-11/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyVVCRXGSZLXBNSG-UHFFFAOYSA-N
XLogP2.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid (CID 82243062) is 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid is CC(Cc1ccc2ccc(F)cc2n1)C(=O)O.
What is the InChIKey of 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid?
The InChIKey is VVCRXGSZLXBNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-8(13(16)17)6-11-5-3-9-2-4-10(14)7-12(9)15-11/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid?
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid has a molecular weight of 233.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82243062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).