2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione

C15H9F3N2O2 — CID 171372642

IUPAC2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)12-9(4-3-7-19-12)8-20-13(21)10-5-1-2-6-11(10)14(20)22/h1-7H,8H2
InChIKeyNUVFJTLBVOUUKV-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.90
Rot. Bonds2

About 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione

2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 171372642) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID171372642
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccnc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)12-9(4-3-7-19-12)8-20-13(21)10-5-1-2-6-11(10)14(20)22/h1-7H,8H2
InChIKeyNUVFJTLBVOUUKV-UHFFFAOYSA-N
XLogP2.90
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione (CID 171372642) is 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccnc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is NUVFJTLBVOUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)12-9(4-3-7-19-12)8-20-13(21)10-5-1-2-6-11(10)14(20)22/h1-7H,8H2.
What are the key properties of 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 306.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 171372642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).