1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid

C16H10F3NO4 — CID 52918734

IUPAC1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n1O
InChIInChI=1S/C16H10F3NO4/c17-16(18,19)24-12-3-1-2-9(6-12)10-4-5-11-8-14(15(21)22)20(23)13(11)7-10/h1-8,23H,(H,21,22)
InChIKeyJTVQZHGFLRTDFC-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.14
Rot. Bonds3

About 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid

1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid (PubChem CID 52918734) has the molecular formula C16H10F3NO4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid
PubChem CID52918734
Molecular FormulaC16H10F3NO4
Molecular Weight337.25 g/mol
Exact Mass337.06
IUPAC Name1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n1O
InChIInChI=1S/C16H10F3NO4/c17-16(18,19)24-12-3-1-2-9(6-12)10-4-5-11-8-14(15(21)22)20(23)13(11)7-10/h1-8,23H,(H,21,22)
InChIKeyJTVQZHGFLRTDFC-UHFFFAOYSA-N
XLogP4.14
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid?
The IUPAC name of 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid (CID 52918734) is 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid is O=C(O)c1cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n1O.
What is the InChIKey of 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid?
The InChIKey is JTVQZHGFLRTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO4/c17-16(18,19)24-12-3-1-2-9(6-12)10-4-5-11-8-14(15(21)22)20(23)13(11)7-10/h1-8,23H,(H,21,22).
What are the key properties of 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid?
1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid has a molecular weight of 337.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-[3-(trifluoromethoxy)phenyl]indole-2-carboxylic acid is sourced from PubChem (CID 52918734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).