1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid

C16H10F3NO3 — CID 46893144

IUPAC1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)
InChIKeyKGXDBNBXAPVUIM-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.26
Rot. Bonds2

About 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid

1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid (PubChem CID 46893144) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid
PubChem CID46893144
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22)
InChIKeyKGXDBNBXAPVUIM-UHFFFAOYSA-N
XLogP4.26
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.26
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 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid (CID 46893144) is 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)cc2n1O.
What is the InChIKey of 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid?
The InChIKey is KGXDBNBXAPVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)12-6-10(9-4-2-1-3-5-9)7-13-11(12)8-14(15(21)22)20(13)23/h1-8,23H,(H,21,22).
What are the key properties of 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid?
1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid has a molecular weight of 321.25 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylic acid is sourced from PubChem (CID 46893144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).