4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid

C16H10FNO3 — CID 56959485

IUPAC4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)cc(F)c3n2)cc1
InChIInChI=1S/C16H10FNO3/c17-13-8-12(19)7-11-5-6-14(18-15(11)13)9-1-3-10(4-2-9)16(20)21/h1-8,19H,(H,20,21)
InChIKeyKYFKVSXTGWAHRT-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.44
Rot. Bonds2

About 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid

4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid (PubChem CID 56959485) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid
PubChem CID56959485
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc3cc(O)cc(F)c3n2)cc1
InChIInChI=1S/C16H10FNO3/c17-13-8-12(19)7-11-5-6-14(18-15(11)13)9-1-3-10(4-2-9)16(20)21/h1-8,19H,(H,20,21)
InChIKeyKYFKVSXTGWAHRT-UHFFFAOYSA-N
XLogP3.44
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid?
The IUPAC name of 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid (CID 56959485) is 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid.
What is the SMILES notation for 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid?
The canonical SMILES for 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid is O=C(O)c1ccc(-c2ccc3cc(O)cc(F)c3n2)cc1.
What is the InChIKey of 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid?
The InChIKey is KYFKVSXTGWAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-13-8-12(19)7-11-5-6-14(18-15(11)13)9-1-3-10(4-2-9)16(20)21/h1-8,19H,(H,20,21).
What are the key properties of 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid?
4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid has a molecular weight of 283.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-6-hydroxyquinolin-2-yl)benzoic acid is sourced from PubChem (CID 56959485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).