1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid

C10H7F3N2O2 — CID 91811858

IUPAC1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2cnn(CC(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-15-8-3-6(9(16)17)1-2-7(8)4-14-15/h1-4H,5H2,(H,16,17)
InChIKeyJCGISRRZZDODTK-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.30
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid

1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid (PubChem CID 91811858) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid
PubChem CID91811858
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2cnn(CC(F)(F)F)c2c1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)5-15-8-3-6(9(16)17)1-2-7(8)4-14-15/h1-4H,5H2,(H,16,17)
InChIKeyJCGISRRZZDODTK-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802
3-(6-aminoindazol-1-yl)-2,2-dimethylpropanoic acid
CID 79624094
6-[(1S,2S)-2-ethylcyclopropyl]-1-(2,2,2-trifluoroethyl)indazole
CID 157034796
4-[(1S)-1-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 166297218
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
3-[[(2S)-oxetan-2-yl]methyl]-2-[(1S)-1-[4-[6-[[1-(2,2,2-trifluoroethyl)indazol-6-yl]methoxy]-2-pyridinyl]piperidin-1-yl]ethyl]benzimidazole-5-carboxylic acid
CID 169080694
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
[3-(6-carboxyindazol-1-yl)pyrazin-2-yl]imino-iminoazanium
CID 126484537
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-5-carboxylic acid
CID 53206386
1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
CID 155191752
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid (CID 91811858) is 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid is O=C(O)c1ccc2cnn(CC(F)(F)F)c2c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid?
The InChIKey is JCGISRRZZDODTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)5-15-8-3-6(9(16)17)1-2-7(8)4-14-15/h1-4H,5H2,(H,16,17).
What are the key properties of 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid?
1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid has a molecular weight of 244.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)indazole-6-carboxylic acid is sourced from PubChem (CID 91811858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).