2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one

C16H8F3N3O2 — CID 135878283

IUPAC2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one
SMILESO=C1C(c2c(O)[nH]c3cc(C(F)(F)F)ccc23)=Nc2ncccc21
InChIInChI=1S/C16H8F3N3O2/c17-16(18,19)7-3-4-8-10(6-7)21-15(24)11(8)12-13(23)9-2-1-5-20-14(9)22-12/h1-6,21,24H
InChIKeyVPTGTEMPKSOFKP-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.60
Rot. Bonds1

About 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one

2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one (PubChem CID 135878283) has the molecular formula C16H8F3N3O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one
PubChem CID135878283
Molecular FormulaC16H8F3N3O2
Molecular Weight331.25 g/mol
Exact Mass331.06
IUPAC Name2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one
SMILESO=C1C(c2c(O)[nH]c3cc(C(F)(F)F)ccc23)=Nc2ncccc21
InChIInChI=1S/C16H8F3N3O2/c17-16(18,19)7-3-4-8-10(6-7)21-15(24)11(8)12-13(23)9-2-1-5-20-14(9)22-12/h1-6,21,24H
InChIKeyVPTGTEMPKSOFKP-UHFFFAOYSA-N
XLogP3.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one?
The IUPAC name of 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one (CID 135878283) is 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one.
What is the SMILES notation for 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one?
The canonical SMILES for 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one is O=C1C(c2c(O)[nH]c3cc(C(F)(F)F)ccc23)=Nc2ncccc21.
What is the InChIKey of 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one?
The InChIKey is VPTGTEMPKSOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3O2/c17-16(18,19)7-3-4-8-10(6-7)21-15(24)11(8)12-13(23)9-2-1-5-20-14(9)22-12/h1-6,21,24H.
What are the key properties of 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one?
2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one has a molecular weight of 331.25 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-6-(trifluoromethyl)-1H-indol-3-yl]pyrrolo[2,3-b]pyridin-3-one is sourced from PubChem (CID 135878283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).