3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid

C15H9F3N2O2 — CID 39219293

IUPAC3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(-c3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)9-4-1-3-8(7-9)13-12-10(14(21)22)5-2-6-11(12)19-20-13/h1-7H,(H,19,20)(H,21,22)
InChIKeyREUJJTWQMASGBS-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.95
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid

3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid (PubChem CID 39219293) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
PubChem CID39219293
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(-c3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)9-4-1-3-8(7-9)13-12-10(14(21)22)5-2-6-11(12)19-20-13/h1-7H,(H,19,20)(H,21,22)
InChIKeyREUJJTWQMASGBS-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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Related Compounds

3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-4-carboxylic acid
CID 39219895
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
sodium 4-hydroxy-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 160510816
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
4-[3-(trifluoromethyl)phenyl]-2H-phthalazine-1-thione
CID 106516682
1H-indazole-3,4-dicarboxylic acid
CID 24728738
3-thiophen-2-yl-1H-indazole-4-carboxylic acid
CID 39218203
potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 161274027
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid (CID 39219293) is 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid is O=C(O)c1cccc2[nH]nc(-c3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid?
The InChIKey is REUJJTWQMASGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)9-4-1-3-8(7-9)13-12-10(14(21)22)5-2-6-11(12)19-20-13/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid?
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-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-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 39219293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).