2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid

C12H9F2NO2 — CID 82574919

IUPAC2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid
SMILESCc1cc(CC(=O)O)nc2c(F)ccc(F)c12
InChIInChI=1S/C12H9F2NO2/c1-6-4-7(5-10(16)17)15-12-9(14)3-2-8(13)11(6)12/h2-4H,5H2,1H3,(H,16,17)
InChIKeyRUUMWBMNBUEUDU-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.45
Rot. Bonds2

About 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid

2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid (PubChem CID 82574919) has the molecular formula C12H9F2NO2 and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid
PubChem CID82574919
Molecular FormulaC12H9F2NO2
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Name2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid
SMILESCc1cc(CC(=O)O)nc2c(F)ccc(F)c12
InChIInChI=1S/C12H9F2NO2/c1-6-4-7(5-10(16)17)15-12-9(14)3-2-8(13)11(6)12/h2-4H,5H2,1H3,(H,16,17)
InChIKeyRUUMWBMNBUEUDU-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid?
The IUPAC name of 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid (CID 82574919) is 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid is Cc1cc(CC(=O)O)nc2c(F)ccc(F)c12.
What is the InChIKey of 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid?
The InChIKey is RUUMWBMNBUEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2/c1-6-4-7(5-10(16)17)15-12-9(14)3-2-8(13)11(6)12/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid?
2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid has a molecular weight of 237.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-difluoro-4-methylquinolin-2-yl)acetic acid is sourced from PubChem (CID 82574919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).