6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C16H23BFNO3 — CID 166595150

IUPAC6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(OC3CCCC3)nc2F)OC1(C)C
InChIInChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)12-9-10-13(19-14(12)18)20-11-7-5-6-8-11/h9-11H,5-8H2,1-4H3
InChIKeyTYZGVFZWQYIMEL-UHFFFAOYSA-N
MW307.17 g/mol
LogP2.84
Rot. Bonds3

About 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 166595150) has the molecular formula C16H23BFNO3 and a molecular weight of 307.17 g/mol. Its IUPAC name is 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID166595150
Molecular FormulaC16H23BFNO3
Molecular Weight307.17 g/mol
Exact Mass307.18
IUPAC Name6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(OC3CCCC3)nc2F)OC1(C)C
InChIInChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)12-9-10-13(19-14(12)18)20-11-7-5-6-8-11/h9-11H,5-8H2,1-4H3
InChIKeyTYZGVFZWQYIMEL-UHFFFAOYSA-N
XLogP2.84
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 166595150) is 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(OC3CCCC3)nc2F)OC1(C)C.
What is the InChIKey of 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is TYZGVFZWQYIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BFNO3/c1-15(2)16(3,4)22-17(21-15)12-9-10-13(19-14(12)18)20-11-7-5-6-8-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 307.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 166595150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).