5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione

C14H7F3N2O2 — CID 154705267

IUPAC5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cc(-c3ccncc3)cc2C(F)(F)F)C1=O
InChIInChI=1S/C14H7F3N2O2/c15-14(16,17)10-6-8(7-1-3-18-4-2-7)5-9-11(10)19-13(21)12(9)20/h1-6H,(H,19,20,21)
InChIKeyFUGMFRDOVVCVNM-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.90
Rot. Bonds1

About 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione

5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione (PubChem CID 154705267) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione
PubChem CID154705267
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2c(cc(-c3ccncc3)cc2C(F)(F)F)C1=O
InChIInChI=1S/C14H7F3N2O2/c15-14(16,17)10-6-8(7-1-3-18-4-2-7)5-9-11(10)19-13(21)12(9)20/h1-6H,(H,19,20,21)
InChIKeyFUGMFRDOVVCVNM-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7-(trifluoromethyl)-1H-indole-2,3-dione
CID 604575
4,5-dideuterio-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 169447382
4-[4-chloro-3-(trifluoromethyl)phenyl]pyridine
CID 620912
6-fluoro-7-(trifluoromethyl)-1H-indole-2,3-dione
CID 172554042
3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 154663848
4-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyridine
CID 70841155
5-pyridin-4-yl-2-(trifluoromethyl)aniline
CID 46317171
(5S)-5-methyl-6-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]-4,5-dihydro-2H-1,2,4-triazin-3-one
CID 154663990
3,5-dipyridin-4-yl-1H-pyridin-2-one
CID 46316548
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
2,4,6-tripyridin-4-ylphenol
CID 141364180
3-pyridin-4-yl-5-(trifluoromethyl)aniline
CID 46317180

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione?
The IUPAC name of 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione (CID 154705267) is 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione is O=C1Nc2c(cc(-c3ccncc3)cc2C(F)(F)F)C1=O.
What is the InChIKey of 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione?
The InChIKey is FUGMFRDOVVCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-14(16,17)10-6-8(7-1-3-18-4-2-7)5-9-11(10)19-13(21)12(9)20/h1-6H,(H,19,20,21).
What are the key properties of 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione?
5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione has a molecular weight of 292.22 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-7-(trifluoromethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 154705267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).