2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid

C11H7F2NO3 — CID 46397780

IUPAC2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C11H7F2NO3/c12-6-3-7-9(15)1-2-14(5-10(16)17)11(7)8(13)4-6/h1-4H,5H2,(H,16,17)
InChIKeyBJLVRLSDLDWAIT-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.36
Rot. Bonds2

About 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid

2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid (PubChem CID 46397780) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid
PubChem CID46397780
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C11H7F2NO3/c12-6-3-7-9(15)1-2-14(5-10(16)17)11(7)8(13)4-6/h1-4H,5H2,(H,16,17)
InChIKeyBJLVRLSDLDWAIT-UHFFFAOYSA-N
XLogP1.36
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid (CID 46397780) is 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid is O=C(O)Cn1ccc(=O)c2cc(F)cc(F)c21.
What is the InChIKey of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid?
The InChIKey is BJLVRLSDLDWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c12-6-3-7-9(15)1-2-14(5-10(16)17)11(7)8(13)4-6/h1-4H,5H2,(H,16,17).
What are the key properties of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid?
2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid has a molecular weight of 239.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 46397780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).