5-fluoro-4-hydroxynaphthalene-2-carboxylic acid

C11H7FO3 — CID 105458353

IUPAC5-fluoro-4-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2c(F)cccc2c1
InChIInChI=1S/C11H7FO3/c12-8-3-1-2-6-4-7(11(14)15)5-9(13)10(6)8/h1-5,13H,(H,14,15)
InChIKeyVSMJCJICJDXVOX-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.38
Rot. Bonds1

About 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid

5-fluoro-4-hydroxynaphthalene-2-carboxylic acid (PubChem CID 105458353) has the molecular formula C11H7FO3 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-hydroxynaphthalene-2-carboxylic acid
PubChem CID105458353
Molecular FormulaC11H7FO3
Molecular Weight206.17 g/mol
Exact Mass206.04
IUPAC Name5-fluoro-4-hydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc(O)c2c(F)cccc2c1
InChIInChI=1S/C11H7FO3/c12-8-3-1-2-6-4-7(11(14)15)5-9(13)10(6)8/h1-5,13H,(H,14,15)
InChIKeyVSMJCJICJDXVOX-UHFFFAOYSA-N
XLogP2.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid (CID 105458353) is 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid is O=C(O)c1cc(O)c2c(F)cccc2c1.
What is the InChIKey of 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is VSMJCJICJDXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3/c12-8-3-1-2-6-4-7(11(14)15)5-9(13)10(6)8/h1-5,13H,(H,14,15).
What are the key properties of 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid?
5-fluoro-4-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 206.17 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 105458353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).