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

C13H10N2O2 — CID 135393200

IUPAC5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3[nH]ccc23)[nH]1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-5-4-11(15-12)8-2-1-3-10-9(8)6-7-14-10/h1-7,14-15H,(H,16,17)
InChIKeyFHHQROROLLIYIS-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.86
Rot. Bonds2

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

5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 135393200) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID135393200
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc3[nH]ccc23)[nH]1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-5-4-11(15-12)8-2-1-3-10-9(8)6-7-14-10/h1-7,14-15H,(H,16,17)
InChIKeyFHHQROROLLIYIS-UHFFFAOYSA-N
XLogP2.86
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid (CID 135393200) is 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2cccc3[nH]ccc23)[nH]1.
What is the InChIKey of 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is FHHQROROLLIYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)12-5-4-11(15-12)8-2-1-3-10-9(8)6-7-14-10/h1-7,14-15H,(H,16,17).
What are the key properties of 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 135393200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).