1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C19H13FN2O5 — CID 4920417

IUPAC1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O5/c20-12-4-6-13(7-5-12)21-16-10-27-19(24)18(16)15(9-17(21)23)11-2-1-3-14(8-11)22(25)26/h1-8,15H,9-10H2
InChIKeyYHVWQFHEMXHAJA-UHFFFAOYSA-N
MW368.32 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920417) has the molecular formula C19H13FN2O5 and a molecular weight of 368.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920417
Molecular FormulaC19H13FN2O5
Molecular Weight368.32 g/mol
Exact Mass368.08
IUPAC Name1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O5/c20-12-4-6-13(7-5-12)21-16-10-27-19(24)18(16)15(9-17(21)23)11-2-1-3-14(8-11)22(25)26/h1-8,15H,9-10H2
InChIKeyYHVWQFHEMXHAJA-UHFFFAOYSA-N
XLogP3.07
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920417) is 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is O=C1OCC2=C1C(c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is YHVWQFHEMXHAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O5/c20-12-4-6-13(7-5-12)21-16-10-27-19(24)18(16)15(9-17(21)23)11-2-1-3-14(8-11)22(25)26/h1-8,15H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 368.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).