3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid

C13H12FNO2 — CID 82243060

IUPAC3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cccc(F)c2n1)C(=O)O
InChIInChI=1S/C13H12FNO2/c1-8(13(16)17)7-10-6-5-9-3-2-4-11(14)12(9)15-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyJHJZVIFLTBSYMD-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.64
Rot. Bonds3

About 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid

3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid (PubChem CID 82243060) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
PubChem CID82243060
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cccc(F)c2n1)C(=O)O
InChIInChI=1S/C13H12FNO2/c1-8(13(16)17)7-10-6-5-9-3-2-4-11(14)12(9)15-10/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyJHJZVIFLTBSYMD-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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Related Compounds

3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82244963
3-(7-fluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82243062
3-(7-bromoquinolin-2-yl)-2-methylpropanoic acid
CID 82251244
3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
CID 84664754
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
3-[6-(dimethylamino)-2-pyridinyl]-2-methylpropanoic acid
CID 83883833
3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
CID 82244797
(2S)-2-amino-3-(8-hydroxyquinolin-2-yl)propanoic acid;ethane
CID 91253152
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541

Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid (CID 82243060) is 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid is CC(Cc1ccc2cccc(F)c2n1)C(=O)O.
What is the InChIKey of 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid?
The InChIKey is JHJZVIFLTBSYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-8(13(16)17)7-10-6-5-9-3-2-4-11(14)12(9)15-10/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 3-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid?
3-(8-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-(8-fluoroquinolin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82243060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).