4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C19H14F3NO5 — CID 58317210

IUPAC4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C2
InChIInChI=1S/C19H14F3NO5/c1-2-10-7-16(26)28-14-8-15(25)23(18(27)17(10)14)9-13(24)11-3-5-12(6-4-11)19(20,21)22/h3-7H,2,8-9H2,1H3
InChIKeyOJFCBPXDTOOBKP-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.63
Rot. Bonds4

About 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317210) has the molecular formula C19H14F3NO5 and a molecular weight of 393.32 g/mol. Its IUPAC name is 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317210
Molecular FormulaC19H14F3NO5
Molecular Weight393.32 g/mol
Exact Mass393.08
IUPAC Name4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C2
InChIInChI=1S/C19H14F3NO5/c1-2-10-7-16(26)28-14-8-15(25)23(18(27)17(10)14)9-13(24)11-3-5-12(6-4-11)19(20,21)22/h3-7H,2,8-9H2,1H3
InChIKeyOJFCBPXDTOOBKP-UHFFFAOYSA-N
XLogP2.63
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317210) is 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C2.
What is the InChIKey of 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is OJFCBPXDTOOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO5/c1-2-10-7-16(26)28-14-8-15(25)23(18(27)17(10)14)9-13(24)11-3-5-12(6-4-11)19(20,21)22/h3-7H,2,8-9H2,1H3.
What are the key properties of 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 393.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).