4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C10H6F3NO4 — CID 58317097

IUPAC4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C10H6F3NO4/c11-10(12,13)3-4-1-7(16)18-5-2-6(15)14-9(17)8(4)5/h1H,2-3H2,(H,14,15,17)
InChIKeyZBWADUPHMLXBDD-UHFFFAOYSA-N
MW261.15 g/mol
LogP0.56
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317097) has the molecular formula C10H6F3NO4 and a molecular weight of 261.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317097
Molecular FormulaC10H6F3NO4
Molecular Weight261.15 g/mol
Exact Mass261.02
IUPAC Name4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C10H6F3NO4/c11-10(12,13)3-4-1-7(16)18-5-2-6(15)14-9(17)8(4)5/h1H,2-3H2,(H,14,15,17)
InChIKeyZBWADUPHMLXBDD-UHFFFAOYSA-N
XLogP0.56
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(2-cyclopentylethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187488
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317097) is 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CC(F)(F)F)c2C(=O)N1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is ZBWADUPHMLXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO4/c11-10(12,13)3-4-1-7(16)18-5-2-6(15)14-9(17)8(4)5/h1H,2-3H2,(H,14,15,17).
What are the key properties of 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 261.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).