2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C17H19BFNO2 — CID 44755190

IUPAC2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc(F)cc3)nc2)OC1(C)C
InChIInChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)13-7-10-15(20-11-13)12-5-8-14(19)9-6-12/h5-11H,1-4H3
InChIKeyCTCLIEHCPOJNSW-UHFFFAOYSA-N
MW299.15 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 44755190) has the molecular formula C17H19BFNO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID44755190
Molecular FormulaC17H19BFNO2
Molecular Weight299.15 g/mol
Exact Mass299.15
IUPAC Name2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCC1(C)OB(c2ccc(-c3ccc(F)cc3)nc2)OC1(C)C
InChIInChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)13-7-10-15(20-11-13)12-5-8-14(19)9-6-12/h5-11H,1-4H3
InChIKeyCTCLIEHCPOJNSW-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 44755190) is 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC1(C)OB(c2ccc(-c3ccc(F)cc3)nc2)OC1(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is CTCLIEHCPOJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)13-7-10-15(20-11-13)12-5-8-14(19)9-6-12/h5-11H,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 299.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 44755190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).