5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid

C13H9FN2O2 — CID 115110351

IUPAC5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2c[nH]c3cccc(F)c23)[nH]1
InChIInChI=1S/C13H9FN2O2/c14-8-2-1-3-10-12(8)7(6-15-10)9-4-5-11(16-9)13(17)18/h1-6,15-16H,(H,17,18)
InChIKeyLJICYGFSZPQTNA-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.00
Rot. Bonds2

About 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid

5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115110351) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID115110351
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2c[nH]c3cccc(F)c23)[nH]1
InChIInChI=1S/C13H9FN2O2/c14-8-2-1-3-10-12(8)7(6-15-10)9-4-5-11(16-9)13(17)18/h1-6,15-16H,(H,17,18)
InChIKeyLJICYGFSZPQTNA-UHFFFAOYSA-N
XLogP3.00
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid (CID 115110351) is 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2c[nH]c3cccc(F)c23)[nH]1.
What is the InChIKey of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is LJICYGFSZPQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-8-2-1-3-10-12(8)7(6-15-10)9-4-5-11(16-9)13(17)18/h1-6,15-16H,(H,17,18).
What are the key properties of 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid?
5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 244.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115110351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).