4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C16H12FNO3 — CID 58187598

IUPAC4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(Cc3cccc(F)c3)c2C(=O)N1
InChIInChI=1S/C16H12FNO3/c1-9-5-13-15(16(20)18-9)11(8-14(19)21-13)6-10-3-2-4-12(17)7-10/h2-4,7-8H,1,5-6H2,(H,18,20)
InChIKeyPVZZJUOGIRUEIH-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.17
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187598) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187598
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(Cc3cccc(F)c3)c2C(=O)N1
InChIInChI=1S/C16H12FNO3/c1-9-5-13-15(16(20)18-9)11(8-14(19)21-13)6-10-3-2-4-12(17)7-10/h2-4,7-8H,1,5-6H2,(H,18,20)
InChIKeyPVZZJUOGIRUEIH-UHFFFAOYSA-N
XLogP2.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1Z)-1-[(3-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1826328
(1Z)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 5398431
ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688817
methyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70690901
1-(3-Fluoro-benzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1826327
(1E)-1-(4-fluorobenzylidene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
CID 6323747
1-[(3-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 536051
1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 728768
4-[(2-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187491
4-[[4-(2-fluorophenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317021
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187598) is 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(Cc3cccc(F)c3)c2C(=O)N1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is PVZZJUOGIRUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-9-5-13-15(16(20)18-9)11(8-14(19)21-13)6-10-3-2-4-12(17)7-10/h2-4,7-8H,1,5-6H2,(H,18,20).
What are the key properties of 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 285.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).