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

C10H6F3NO3 — CID 51354283

IUPAC1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cccc2n1O
InChIInChI=1S/C10H6F3NO3/c11-10(12,13)6-2-1-3-7-5(6)4-8(9(15)16)14(7)17/h1-4,17H,(H,15,16)
InChIKeyVHZRBRJSTLLOSZ-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.60
Rot. Bonds1

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

1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid (PubChem CID 51354283) has the molecular formula C10H6F3NO3 and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid
PubChem CID51354283
Molecular FormulaC10H6F3NO3
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cccc2n1O
InChIInChI=1S/C10H6F3NO3/c11-10(12,13)6-2-1-3-7-5(6)4-8(9(15)16)14(7)17/h1-4,17H,(H,15,16)
InChIKeyVHZRBRJSTLLOSZ-UHFFFAOYSA-N
XLogP2.60
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.60
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-4-(trifluoromethyl)indole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid (CID 51354283) is 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)cccc2n1O.
What is the InChIKey of 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid?
The InChIKey is VHZRBRJSTLLOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO3/c11-10(12,13)6-2-1-3-7-5(6)4-8(9(15)16)14(7)17/h1-4,17H,(H,15,16).
What are the key properties of 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid?
1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(trifluoromethyl)indole-2-carboxylic acid is sourced from PubChem (CID 51354283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).