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

C15H21BFNO2 — CID 74889199

IUPAC3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCCc1c(/C=C/B2OC(C)(C)C(C)(C)O2)ccnc1F
InChIInChI=1S/C15H21BFNO2/c1-6-12-11(8-10-18-13(12)17)7-9-16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3/b9-7+
InChIKeyUBJCGVGOOHCZDH-VQHVLOKHSA-N
MW277.15 g/mol
LogP3.43
Rot. Bonds3

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

3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 74889199) has the molecular formula C15H21BFNO2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID74889199
Molecular FormulaC15H21BFNO2
Molecular Weight277.15 g/mol
Exact Mass277.16
IUPAC Name3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCCc1c(/C=C/B2OC(C)(C)C(C)(C)O2)ccnc1F
InChIInChI=1S/C15H21BFNO2/c1-6-12-11(8-10-18-13(12)17)7-9-16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3/b9-7+
InChIKeyUBJCGVGOOHCZDH-VQHVLOKHSA-N
XLogP3.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416557
3-chloro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 74788940
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine
CID 74788995
2-chloro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
CID 74788982
2-methoxy-3-methyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890696
6-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 57416678
6-chloro-2-fluoro-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74789096
4-fluoro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-ol
CID 57416696
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 74789003
4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 74890742
4,4,5,5-tetramethyl-2-[(E)-2-(2-methylphenyl)ethenyl]-1,3,2-dioxaborolane
CID 23088099
4-propyl-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416755

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 74889199) is 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is CCc1c(/C=C/B2OC(C)(C)C(C)(C)O2)ccnc1F.
What is the InChIKey of 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is UBJCGVGOOHCZDH-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H21BFNO2/c1-6-12-11(8-10-18-13(12)17)7-9-16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3/b9-7+.
What are the key properties of 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 277.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 74889199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).