3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid

C14H8F3NO3 — CID 154136675

IUPAC3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c3cc(C(F)(F)F)ccc3c2cc1O
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)6-1-2-7-8-5-12(19)9(13(20)21)4-11(8)18-10(7)3-6/h1-5,18-19H,(H,20,21)
InChIKeyMKFLLSAFKPBDOJ-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.74
Rot. Bonds1

About 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid

3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid (PubChem CID 154136675) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid
PubChem CID154136675
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c3cc(C(F)(F)F)ccc3c2cc1O
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)6-1-2-7-8-5-12(19)9(13(20)21)4-11(8)18-10(7)3-6/h1-5,18-19H,(H,20,21)
InChIKeyMKFLLSAFKPBDOJ-UHFFFAOYSA-N
XLogP3.74
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
CID 46855216
2-(9H-carbazol-3-ylamino)-5-(trifluoromethyl)benzoic acid
CID 165180675
6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole
CID 68927625
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 10566636
2-ethenyl-4-(trifluoromethyl)benzoic acid
CID 154659502
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
6-(trifluoromethyl)phenanthrene-1-carboxylic acid
CID 625892
5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
1-octyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 142567534
methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid?
The IUPAC name of 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid (CID 154136675) is 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid is O=C(O)c1cc2[nH]c3cc(C(F)(F)F)ccc3c2cc1O.
What is the InChIKey of 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid?
The InChIKey is MKFLLSAFKPBDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-14(16,17)6-1-2-7-8-5-12(19)9(13(20)21)4-11(8)18-10(7)3-6/h1-5,18-19H,(H,20,21).
What are the key properties of 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid?
3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid has a molecular weight of 295.22 g/mol, XLogP of 3.74, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-(trifluoromethyl)-9H-carbazole-2-carboxylic acid is sourced from PubChem (CID 154136675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).