4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid

C9H6FNO4 — CID 174609393

IUPAC4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid
SMILESO=C(O)n1c(O)c2cccc(F)c2c1O
InChIInChI=1S/C9H6FNO4/c10-5-3-1-2-4-6(5)8(13)11(7(4)12)9(14)15/h1-3,12-13H,(H,14,15)
InChIKeyRDHKATVVJOSYNB-UHFFFAOYSA-N
MW211.15 g/mol
LogP1.72
Rot. Bonds

About 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid

4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid (PubChem CID 174609393) has the molecular formula C9H6FNO4 and a molecular weight of 211.15 g/mol. Its IUPAC name is 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid
PubChem CID174609393
Molecular FormulaC9H6FNO4
Molecular Weight211.15 g/mol
Exact Mass211.03
IUPAC Name4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid
SMILESO=C(O)n1c(O)c2cccc(F)c2c1O
InChIInChI=1S/C9H6FNO4/c10-5-3-1-2-4-6(5)8(13)11(7(4)12)9(14)15/h1-3,12-13H,(H,14,15)
InChIKeyRDHKATVVJOSYNB-UHFFFAOYSA-N
XLogP1.72
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid?
The IUPAC name of 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid (CID 174609393) is 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid?
The canonical SMILES for 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid is O=C(O)n1c(O)c2cccc(F)c2c1O.
What is the InChIKey of 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid?
The InChIKey is RDHKATVVJOSYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO4/c10-5-3-1-2-4-6(5)8(13)11(7(4)12)9(14)15/h1-3,12-13H,(H,14,15).
What are the key properties of 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid?
4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid has a molecular weight of 211.15 g/mol, XLogP of 1.72, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dihydroxyisoindole-2-carboxylic acid is sourced from PubChem (CID 174609393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).