2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione

C14H7F3N2O2 — CID 711897

IUPAC2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H7F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(19)21/h1-7H
InChIKeyXLCNSHJRTTUPNM-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.90
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 711897) has the molecular formula C14H7F3N2O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID711897
Molecular FormulaC14H7F3N2O2
Molecular Weight292.22 g/mol
Exact Mass292.05
IUPAC Name2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H7F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(19)21/h1-7H
InChIKeyXLCNSHJRTTUPNM-UHFFFAOYSA-N
XLogP2.90
TPSA50.27 Ų
H-Bond Donors
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 ≤ 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-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 711897) is 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is XLCNSHJRTTUPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)19-12(20)10-4-5-18-7-11(10)13(19)21/h1-7H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 292.22 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 711897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).