1-phenylindigole-2-carboxylic acid

C11H9InO2 — CID 142777451

IUPAC1-phenylindigole-2-carboxylic acid
SMILESO=C(O)C1=CC=C[In]1c1ccccc1
InChIInChI=1S/C6H5.C5H4O2.In/c1-2-4-6-5-3-1;1-2-3-4-5(6)7;/h1-5H;1-3H,(H,6,7);
InChIKeySUZHIYDRIDWQHG-UHFFFAOYSA-N
MW288.01 g/mol
LogP1.05
Rot. Bonds2

About 1-phenylindigole-2-carboxylic acid

1-phenylindigole-2-carboxylic acid (PubChem CID 142777451) has the molecular formula C11H9InO2 and a molecular weight of 288.01 g/mol. Its IUPAC name is 1-phenylindigole-2-carboxylic acid.

Molecular Properties

Compound Name1-phenylindigole-2-carboxylic acid
PubChem CID142777451
Molecular FormulaC11H9InO2
Molecular Weight288.01 g/mol
Exact Mass287.96
IUPAC Name1-phenylindigole-2-carboxylic acid
SMILESO=C(O)C1=CC=C[In]1c1ccccc1
InChIInChI=1S/C6H5.C5H4O2.In/c1-2-4-6-5-3-1;1-2-3-4-5(6)7;/h1-5H;1-3H,(H,6,7);
InChIKeySUZHIYDRIDWQHG-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.01
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylindigole-2-carboxylic acid?
The IUPAC name of 1-phenylindigole-2-carboxylic acid (CID 142777451) is 1-phenylindigole-2-carboxylic acid.
What is the SMILES notation for 1-phenylindigole-2-carboxylic acid?
The canonical SMILES for 1-phenylindigole-2-carboxylic acid is O=C(O)C1=CC=C[In]1c1ccccc1.
What is the InChIKey of 1-phenylindigole-2-carboxylic acid?
The InChIKey is SUZHIYDRIDWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H4O2.In/c1-2-4-6-5-3-1;1-2-3-4-5(6)7;/h1-5H;1-3H,(H,6,7);.
What are the key properties of 1-phenylindigole-2-carboxylic acid?
1-phenylindigole-2-carboxylic acid has a molecular weight of 288.01 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylindigole-2-carboxylic acid is sourced from PubChem (CID 142777451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).