1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile

C20H13FN2O3 — CID 2414366

IUPAC1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H13FN2O3/c21-16-6-7-18(24)17(9-16)19(25)15-8-14(10-22)20(26)23(12-15)11-13-4-2-1-3-5-13/h1-9,12,24H,11H2
InChIKeyMDGSKRBGKJNYMG-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.84
Rot. Bonds4

About 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile

1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2414366) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
PubChem CID2414366
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H13FN2O3/c21-16-6-7-18(24)17(9-16)19(25)15-8-14(10-22)20(26)23(12-15)11-13-4-2-1-3-5-13/h1-9,12,24H,11H2
InChIKeyMDGSKRBGKJNYMG-UHFFFAOYSA-N
XLogP2.84
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile (CID 2414366) is 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is MDGSKRBGKJNYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-16-6-7-18(24)17(9-16)19(25)15-8-14(10-22)20(26)23(12-15)11-13-4-2-1-3-5-13/h1-9,12,24H,11H2.
What are the key properties of 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile?
1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 348.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2414366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).