3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione

C14H8FNO3 — CID 42637767

IUPAC3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione
SMILESO=C1OC(=O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C14H8FNO3/c15-10-3-1-8(2-4-10)5-9-6-11-12(16-7-9)14(18)19-13(11)17/h1-4,6-7H,5H2
InChIKeySREMTFHIVLHJMY-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.12
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione

3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione (PubChem CID 42637767) has the molecular formula C14H8FNO3 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione
PubChem CID42637767
Molecular FormulaC14H8FNO3
Molecular Weight257.22 g/mol
Exact Mass257.05
IUPAC Name3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione
SMILESO=C1OC(=O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C14H8FNO3/c15-10-3-1-8(2-4-10)5-9-6-11-12(16-7-9)14(18)19-13(11)17/h1-4,6-7H,5H2
InChIKeySREMTFHIVLHJMY-UHFFFAOYSA-N
XLogP2.12
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione (CID 42637767) is 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione is O=C1OC(=O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione?
The InChIKey is SREMTFHIVLHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3/c15-10-3-1-8(2-4-10)5-9-6-11-12(16-7-9)14(18)19-13(11)17/h1-4,6-7H,5H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione?
3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione has a molecular weight of 257.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]furo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 42637767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).