3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine

C17H19BFNO3 — CID 171110895

IUPAC3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine
SMILESCC1(C)OB(C(F)=Cc2cncc(-c3ccco3)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)15(19)9-12-8-13(11-20-10-12)14-6-5-7-21-14/h5-11H,1-4H3
InChIKeyPIDRMPLUNBVEIK-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.28
Rot. Bonds3

About 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine

3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine (PubChem CID 171110895) has the molecular formula C17H19BFNO3 and a molecular weight of 315.15 g/mol. Its IUPAC name is 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine.

Molecular Properties

Compound Name3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine
PubChem CID171110895
Molecular FormulaC17H19BFNO3
Molecular Weight315.15 g/mol
Exact Mass315.14
IUPAC Name3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine
SMILESCC1(C)OB(C(F)=Cc2cncc(-c3ccco3)c2)OC1(C)C
InChIInChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)15(19)9-12-8-13(11-20-10-12)14-6-5-7-21-14/h5-11H,1-4H3
InChIKeyPIDRMPLUNBVEIK-UHFFFAOYSA-N
XLogP4.28
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.28
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

4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 171109752
2-chloro-6-[3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]pyrazine
CID 171109778
2-[1-fluoro-2-[4-(4-methylphenyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111920
2-[1-fluoro-2-(3-methylphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111261
2-(1-fluoro-2-naphthalen-2-ylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111326
2-[2-(3-bromophenyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111268
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
3-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]pyridine
CID 171109786
4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoic acid
CID 171111325
4-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]thiophen-3-yl]pyridine
CID 171110884
5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-imidazole
CID 171109649
2-[1-fluoro-2-[4-fluoro-3-(4-methylphenyl)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110953

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine?
The IUPAC name of 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine (CID 171110895) is 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine.
What is the SMILES notation for 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine?
The canonical SMILES for 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine is CC1(C)OB(C(F)=Cc2cncc(-c3ccco3)c2)OC1(C)C.
What is the InChIKey of 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine?
The InChIKey is PIDRMPLUNBVEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO3/c1-16(2)17(3,4)23-18(22-16)15(19)9-12-8-13(11-20-10-12)14-6-5-7-21-14/h5-11H,1-4H3.
What are the key properties of 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine?
3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine has a molecular weight of 315.15 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5-(furan-2-yl)pyridine is sourced from PubChem (CID 171110895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).