6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione

C21H14FNO4 — CID 59240803

IUPAC6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(-c2ccccc2)n(-c2cccc(F)c2)c(=O)c2c(O)cc(=O)oc12
InChIInChI=1S/C21H14FNO4/c1-12-19(13-6-3-2-4-7-13)23(15-9-5-8-14(22)10-15)21(26)18-16(24)11-17(25)27-20(12)18/h2-11,24H,1H3
InChIKeyCSECHYNVIUISFV-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.76
Rot. Bonds2

About 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione

6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240803) has the molecular formula C21H14FNO4 and a molecular weight of 363.34 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240803
Molecular FormulaC21H14FNO4
Molecular Weight363.34 g/mol
Exact Mass363.09
IUPAC Name6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(-c2ccccc2)n(-c2cccc(F)c2)c(=O)c2c(O)cc(=O)oc12
InChIInChI=1S/C21H14FNO4/c1-12-19(13-6-3-2-4-7-13)23(15-9-5-8-14(22)10-15)21(26)18-16(24)11-17(25)27-20(12)18/h2-11,24H,1H3
InChIKeyCSECHYNVIUISFV-UHFFFAOYSA-N
XLogP3.76
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 59240803) is 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is Cc1c(-c2ccccc2)n(-c2cccc(F)c2)c(=O)c2c(O)cc(=O)oc12.
What is the InChIKey of 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is CSECHYNVIUISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO4/c1-12-19(13-6-3-2-4-7-13)23(15-9-5-8-14(22)10-15)21(26)18-16(24)11-17(25)27-20(12)18/h2-11,24H,1H3.
What are the key properties of 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 363.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).