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

C14H19BFNO3 — CID 74890742

IUPAC4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCOc1c(F)ccnc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BFNO3/c1-13(2)14(3,4)20-15(19-13)8-6-11-12(18-5)10(16)7-9-17-11/h6-9H,1-5H3/b8-6+
InChIKeyBFPMAFBQHWBBBV-SOFGYWHQSA-N
MW279.12 g/mol
LogP2.87
Rot. Bonds3

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

4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (PubChem CID 74890742) has the molecular formula C14H19BFNO3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
PubChem CID74890742
Molecular FormulaC14H19BFNO3
Molecular Weight279.12 g/mol
Exact Mass279.14
IUPAC Name4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
SMILESCOc1c(F)ccnc1/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H19BFNO3/c1-13(2)14(3,4)20-15(19-13)8-6-11-12(18-5)10(16)7-9-17-11/h6-9H,1-5H3/b8-6+
InChIKeyBFPMAFBQHWBBBV-SOFGYWHQSA-N
XLogP2.87
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.87
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 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The IUPAC name of 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine (CID 74890742) is 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine.
What is the SMILES notation for 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The canonical SMILES for 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is COc1c(F)ccnc1/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
The InChIKey is BFPMAFBQHWBBBV-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H19BFNO3/c1-13(2)14(3,4)20-15(19-13)8-6-11-12(18-5)10(16)7-9-17-11/h6-9H,1-5H3/b8-6+.
What are the key properties of 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine?
4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine has a molecular weight of 279.12 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine is sourced from PubChem (CID 74890742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).