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

C16H12FNO4 — CID 59240917

IUPAC6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)cc(O)c2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H12FNO4/c1-9-6-13-15(12(19)7-14(20)22-13)16(21)18(9)8-10-2-4-11(17)5-3-10/h2-7,19H,8H2,1H3
InChIKeyGOVFGZAQKXKBIA-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.16
Rot. Bonds2

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

6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240917) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240917
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2oc(=O)cc(O)c2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H12FNO4/c1-9-6-13-15(12(19)7-14(20)22-13)16(21)18(9)8-10-2-4-11(17)5-3-10/h2-7,19H,8H2,1H3
InChIKeyGOVFGZAQKXKBIA-UHFFFAOYSA-N
XLogP2.16
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione (CID 59240917) is 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione is Cc1cc2oc(=O)cc(O)c2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is GOVFGZAQKXKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4/c1-9-6-13-15(12(19)7-14(20)22-13)16(21)18(9)8-10-2-4-11(17)5-3-10/h2-7,19H,8H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione?
6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 301.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-hydroxy-7-methylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).