5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid

C15H10ClNO3 — CID 52918728

IUPAC5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc(Cl)cc3)ccc2n1O
InChIInChI=1S/C15H10ClNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(18)19)17(13)20/h1-8,20H,(H,18,19)
InChIKeyGRTXUZYUUBIOCP-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.90
Rot. Bonds2

About 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid

5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid (PubChem CID 52918728) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid
PubChem CID52918728
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3ccc(Cl)cc3)ccc2n1O
InChIInChI=1S/C15H10ClNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(18)19)17(13)20/h1-8,20H,(H,18,19)
InChIKeyGRTXUZYUUBIOCP-UHFFFAOYSA-N
XLogP3.90
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid (CID 52918728) is 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid is O=C(O)c1cc2cc(-c3ccc(Cl)cc3)ccc2n1O.
What is the InChIKey of 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid?
The InChIKey is GRTXUZYUUBIOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(15(18)19)17(13)20/h1-8,20H,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid?
5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-hydroxyindole-2-carboxylic acid is sourced from PubChem (CID 52918728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).