5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C16H13FN2O4 — CID 19114951

IUPAC5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C16H13FN2O4/c1-9-12(7-18)15(21)19(2)16(22)14(9)13(20)8-23-11-5-3-10(17)4-6-11/h3-6,22H,8H2,1-2H3
InChIKeyGSCIJLWGEFXIDX-UHFFFAOYSA-N
MW316.29 g/mol
LogP1.67
Rot. Bonds4

About 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19114951) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19114951
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)COc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C16H13FN2O4/c1-9-12(7-18)15(21)19(2)16(22)14(9)13(20)8-23-11-5-3-10(17)4-6-11/h3-6,22H,8H2,1-2H3
InChIKeyGSCIJLWGEFXIDX-UHFFFAOYSA-N
XLogP1.67
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19114951) is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)COc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GSCIJLWGEFXIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-9-12(7-18)15(21)19(2)16(22)14(9)13(20)8-23-11-5-3-10(17)4-6-11/h3-6,22H,8H2,1-2H3.
What are the key properties of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 316.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).