4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one

C17H19BFNO3 — CID 172592703

IUPAC4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one
SMILESCC1(C)OB(c2cccc(-n3ccc(F)cc3=O)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-6-5-7-14(10-12)20-9-8-13(19)11-15(20)21/h5-11H,1-4H3
InChIKeyDQCNYGXBAMSTGZ-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.28
Rot. Bonds2

About 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one

4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one (PubChem CID 172592703) has the molecular formula C17H19BFNO3 and a molecular weight of 315.15 g/mol. Its IUPAC name is 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one
PubChem CID172592703
Molecular FormulaC17H19BFNO3
Molecular Weight315.15 g/mol
Exact Mass315.14
IUPAC Name4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one
SMILESCC1(C)OB(c2cccc(-n3ccc(F)cc3=O)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-6-5-7-14(10-12)20-9-8-13(19)11-15(20)21/h5-11H,1-4H3
InChIKeyDQCNYGXBAMSTGZ-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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Related Compounds

1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[f]indole
CID 146776858
2-[3-(4-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 151259521
ethane;1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 142617717
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-one
CID 178177098
2-[3-fluoro-5-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140751630
2-[4-fluoro-3-(3-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142555933
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 172591879
4,4-dimethyl-1-[4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrrolidin-2-one
CID 160962782
N-methyl-N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-3-yl]acetamide
CID 170516875
1-(3-bromophenyl)-3,3-difluoropyrrolidine;3,3-difluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 158435309
1-ethyl-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrimidine-2,4-dione
CID 113249610
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one?
The IUPAC name of 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one (CID 172592703) is 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one.
What is the SMILES notation for 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one?
The canonical SMILES for 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one is CC1(C)OB(c2cccc(-n3ccc(F)cc3=O)c2)OC1(C)C.
What is the InChIKey of 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one?
The InChIKey is DQCNYGXBAMSTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)12-6-5-7-14(10-12)20-9-8-13(19)11-15(20)21/h5-11H,1-4H3.
What are the key properties of 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one?
4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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 4-fluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-one is sourced from PubChem (CID 172592703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).