3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid

C15H9F3N2O2 — CID 39219281

IUPAC3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccccc3C(F)(F)F)n[nH]c2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-4-2-1-3-9(11)13-10-6-5-8(14(21)22)7-12(10)19-20-13/h1-7H,(H,19,20)(H,21,22)
InChIKeyLQUHGSSXUZCFKQ-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.95
Rot. Bonds2

About 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid

3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid (PubChem CID 39219281) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
PubChem CID39219281
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccccc3C(F)(F)F)n[nH]c2c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-4-2-1-3-9(11)13-10-6-5-8(14(21)22)7-12(10)19-20-13/h1-7H,(H,19,20)(H,21,22)
InChIKeyLQUHGSSXUZCFKQ-UHFFFAOYSA-N
XLogP3.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid (CID 39219281) is 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(-c3ccccc3C(F)(F)F)n[nH]c2c1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid?
The InChIKey is LQUHGSSXUZCFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)11-4-2-1-3-9(11)13-10-6-5-8(14(21)22)7-12(10)19-20-13/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid?
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid has a molecular weight of 306.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39219281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).