1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C17H19BFNO3 — CID 172591879

IUPAC1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC1(C)OB(c2ccc(=O)n(-c3ccc(F)cc3)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-5-10-15(21)20(11-12)14-8-6-13(19)7-9-14/h5-11H,1-4H3
InChIKeyJQRVSCSTZFHHNR-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 172591879) has the molecular formula C17H19BFNO3 and a molecular weight of 315.15 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID172591879
Molecular FormulaC17H19BFNO3
Molecular Weight315.15 g/mol
Exact Mass315.14
IUPAC Name1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC1(C)OB(c2ccc(=O)n(-c3ccc(F)cc3)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-5-10-15(21)20(11-12)14-8-6-13(19)7-9-14/h5-11H,1-4H3
InChIKeyJQRVSCSTZFHHNR-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 172591879) is 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CC1(C)OB(c2ccc(=O)n(-c3ccc(F)cc3)c2)OC1(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is JQRVSCSTZFHHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-5-10-15(21)20(11-12)14-8-6-13(19)7-9-14/h5-11H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 315.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 172591879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).