7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid

C11H7FO4 — CID 164534500

IUPAC7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2ccc(F)cc2c1O
InChIInChI=1S/C11H7FO4/c12-6-2-1-5-3-8(13)9(11(15)16)10(14)7(5)4-6/h1-4,13-14H,(H,15,16)
InChIKeyIXSAGVOEEDYWKU-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.09
Rot. Bonds1

About 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid

7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid (PubChem CID 164534500) has the molecular formula C11H7FO4 and a molecular weight of 222.17 g/mol. Its IUPAC name is 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid
PubChem CID164534500
Molecular FormulaC11H7FO4
Molecular Weight222.17 g/mol
Exact Mass222.03
IUPAC Name7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(O)cc2ccc(F)cc2c1O
InChIInChI=1S/C11H7FO4/c12-6-2-1-5-3-8(13)9(11(15)16)10(14)7(5)4-6/h1-4,13-14H,(H,15,16)
InChIKeyIXSAGVOEEDYWKU-UHFFFAOYSA-N
XLogP2.09
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid (CID 164534500) is 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid is O=C(O)c1c(O)cc2ccc(F)cc2c1O.
What is the InChIKey of 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid?
The InChIKey is IXSAGVOEEDYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO4/c12-6-2-1-5-3-8(13)9(11(15)16)10(14)7(5)4-6/h1-4,13-14H,(H,15,16).
What are the key properties of 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid?
7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid has a molecular weight of 222.17 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 164534500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).