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

C17H15FN2O3 — CID 19115745

IUPAC5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccc(F)cc2)c(O)n(C(C)C)c(=O)c1C#N
InChIInChI=1S/C17H15FN2O3/c1-9(2)20-16(22)13(8-19)10(3)14(17(20)23)15(21)11-4-6-12(18)7-5-11/h4-7,9,23H,1-3H3
InChIKeyLDKMFCCAGRZGII-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.68
Rot. Bonds3

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

5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (PubChem CID 19115745) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
PubChem CID19115745
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccc(F)cc2)c(O)n(C(C)C)c(=O)c1C#N
InChIInChI=1S/C17H15FN2O3/c1-9(2)20-16(22)13(8-19)10(3)14(17(20)23)15(21)11-4-6-12(18)7-5-11/h4-7,9,23H,1-3H3
InChIKeyLDKMFCCAGRZGII-UHFFFAOYSA-N
XLogP2.68
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (CID 19115745) is 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is Cc1c(C(=O)c2ccc(F)cc2)c(O)n(C(C)C)c(=O)c1C#N.
What is the InChIKey of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is LDKMFCCAGRZGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-9(2)20-16(22)13(8-19)10(3)14(17(20)23)15(21)11-4-6-12(18)7-5-11/h4-7,9,23H,1-3H3.
What are the key properties of 5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 314.32 g/mol, XLogP of 2.68, 3 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-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 19115745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).