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

C14H21BFNO3 — CID 58070459

IUPAC1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC(CF)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C14H21BFNO3/c1-10(8-16)17-9-11(6-7-12(17)18)15-19-13(2,3)14(4,5)20-15/h6-7,9-10H,8H2,1-5H3
InChIKeyWHRZWWSIDSIBDU-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.68
Rot. Bonds3

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

1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 58070459) has the molecular formula C14H21BFNO3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID58070459
Molecular FormulaC14H21BFNO3
Molecular Weight281.14 g/mol
Exact Mass281.16
IUPAC Name1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCC(CF)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIInChI=1S/C14H21BFNO3/c1-10(8-16)17-9-11(6-7-12(17)18)15-19-13(2,3)14(4,5)20-15/h6-7,9-10H,8H2,1-5H3
InChIKeyWHRZWWSIDSIBDU-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 45480194
1-(Propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 58070386
1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 66706599
1-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2(1H)-one
CID 72220712
1-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyridinone
CID 123893605
1,6-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one
CID 129317607
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(1,1,1-trifluoropropan-2-yl)pyridin-2-one
CID 66706618
1-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CID 68291429
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 71015469
3-Fluoro-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 123823790
1-(2-Fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 141674259
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 150802397

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 58070459) is 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CC(CF)n1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is WHRZWWSIDSIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BFNO3/c1-10(8-16)17-9-11(6-7-12(17)18)15-19-13(2,3)14(4,5)20-15/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 281.14 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 58070459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).