1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C16H14FN3O2 — CID 135668641

IUPAC1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(/C=N/c2ccccc2F)c(C)c(C#N)c1=O
InChIInChI=1S/C16H14FN3O2/c1-3-20-15(21)11(8-18)10(2)12(16(20)22)9-19-14-7-5-4-6-13(14)17/h4-7,9,22H,3H2,1-2H3/b19-9+
InChIKeyVHMJVICXTMHZGI-DJKKODMXSA-N
MW299.31 g/mol
LogP2.64
Rot. Bonds3

About 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 135668641) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID135668641
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(/C=N/c2ccccc2F)c(C)c(C#N)c1=O
InChIInChI=1S/C16H14FN3O2/c1-3-20-15(21)11(8-18)10(2)12(16(20)22)9-19-14-7-5-4-6-13(14)17/h4-7,9,22H,3H2,1-2H3/b19-9+
InChIKeyVHMJVICXTMHZGI-DJKKODMXSA-N
XLogP2.64
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 135668641) is 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(/C=N/c2ccccc2F)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is VHMJVICXTMHZGI-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-3-20-15(21)11(8-18)10(2)12(16(20)22)9-19-14-7-5-4-6-13(14)17/h4-7,9,22H,3H2,1-2H3/b19-9+.
What are the key properties of 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 299.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135668641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).