1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid

C10H7F3N2O4 — CID 162334687

IUPAC1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cccc2cn[nH]c12
InChIInChI=1S/C8H6N2O2.C2HF3O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6;3-2(4,5)1(6)7/h1-4H,(H,9,10)(H,11,12);(H,6,7)
InChIKeyUOLZBFCCTZPQBY-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.89
Rot. Bonds1

About 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid

1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 162334687) has the molecular formula C10H7F3N2O4 and a molecular weight of 276.17 g/mol. Its IUPAC name is 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID162334687
Molecular FormulaC10H7F3N2O4
Molecular Weight276.17 g/mol
Exact Mass276.04
IUPAC Name1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cccc2cn[nH]c12
InChIInChI=1S/C8H6N2O2.C2HF3O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6;3-2(4,5)1(6)7/h1-4H,(H,9,10)(H,11,12);(H,6,7)
InChIKeyUOLZBFCCTZPQBY-UHFFFAOYSA-N
XLogP1.89
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 166202110
5-fluoro-1H-indazole-7-carboxylic acid
CID 76846417
2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
CID 119203134
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
N'-methyl-N'-phenyl-1H-indazole-7-carbohydrazide
CID 69242941
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37314320
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
CID 75526368
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
N-(4,4-dimethylcyclohexyl)-N-methyl-1H-indazole-7-carboxamide
CID 126775330
N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
CID 166189674
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid (CID 162334687) is 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1cccc2cn[nH]c12.
What is the InChIKey of 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is UOLZBFCCTZPQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C2HF3O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6;3-2(4,5)1(6)7/h1-4H,(H,9,10)(H,11,12);(H,6,7).
What are the key properties of 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid?
1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 276.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-7-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162334687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).