5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione

C15H10F2N2O2 — CID 61356316

IUPAC5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccn2)c2c(F)cc(F)cc21
InChIInChI=1S/C15H10F2N2O2/c16-9-7-11-13(12(17)8-9)19(15(21)14(11)20)6-4-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6H2
InChIKeyFZAXYSLFBHIUQB-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.13
Rot. Bonds3

About 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione

5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione (PubChem CID 61356316) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
PubChem CID61356316
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccn2)c2c(F)cc(F)cc21
InChIInChI=1S/C15H10F2N2O2/c16-9-7-11-13(12(17)8-9)19(15(21)14(11)20)6-4-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6H2
InChIKeyFZAXYSLFBHIUQB-UHFFFAOYSA-N
XLogP2.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357076
4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61358109
5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61355626
5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356798
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357169
5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione
CID 107043757
6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356749
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide
CID 79629837
1-(cyclopentylmethyl)-5,7-difluoroindole-2,3-dione
CID 61356320
1-(2-aminoethyl)-7-fluoroindole-2,3-dione
CID 84621035

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The IUPAC name of 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione (CID 61356316) is 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCc2ccccn2)c2c(F)cc(F)cc21.
What is the InChIKey of 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The InChIKey is FZAXYSLFBHIUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-9-7-11-13(12(17)8-9)19(15(21)14(11)20)6-4-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6H2.
What are the key properties of 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione has a molecular weight of 288.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61356316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).