5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile

C19H19FN2O3 — CID 19115477

IUPAC5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
SMILESCCCCCn1c(O)c(C(=O)c2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C19H19FN2O3/c1-3-4-5-10-22-18(24)15(11-21)12(2)16(19(22)25)17(23)13-6-8-14(20)9-7-13/h6-9,25H,3-5,10H2,1-2H3
InChIKeyVYOBHMCPOBNVGB-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.29
Rot. Bonds6

About 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile

5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile (PubChem CID 19115477) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
PubChem CID19115477
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
SMILESCCCCCn1c(O)c(C(=O)c2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C19H19FN2O3/c1-3-4-5-10-22-18(24)15(11-21)12(2)16(19(22)25)17(23)13-6-8-14(20)9-7-13/h6-9,25H,3-5,10H2,1-2H3
InChIKeyVYOBHMCPOBNVGB-UHFFFAOYSA-N
XLogP3.29
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile (CID 19115477) is 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile is CCCCCn1c(O)c(C(=O)c2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
The InChIKey is VYOBHMCPOBNVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-4-5-10-22-18(24)15(11-21)12(2)16(19(22)25)17(23)13-6-8-14(20)9-7-13/h6-9,25H,3-5,10H2,1-2H3.
What are the key properties of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile?
5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile has a molecular weight of 342.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile is sourced from PubChem (CID 19115477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).