5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid

C9H6FNO3 — CID 141128884

IUPAC5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(O)cc2[nH]1
InChIInChI=1S/C9H6FNO3/c10-5-1-4-2-7(9(13)14)11-6(4)3-8(5)12/h1-3,11-12H,(H,13,14)
InChIKeyLOQHMCIFGLDEEV-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.71
Rot. Bonds1

About 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid

5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid (PubChem CID 141128884) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
PubChem CID141128884
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(O)cc2[nH]1
InChIInChI=1S/C9H6FNO3/c10-5-1-4-2-7(9(13)14)11-6(4)3-8(5)12/h1-3,11-12H,(H,13,14)
InChIKeyLOQHMCIFGLDEEV-UHFFFAOYSA-N
XLogP1.71
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid?
The IUPAC name of 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid (CID 141128884) is 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(F)c(O)cc2[nH]1.
What is the InChIKey of 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid?
The InChIKey is LOQHMCIFGLDEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c10-5-1-4-2-7(9(13)14)11-6(4)3-8(5)12/h1-3,11-12H,(H,13,14).
What are the key properties of 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid?
5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid has a molecular weight of 195.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 141128884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).