5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

C24H25BFNO2 — CID 140838545

IUPAC5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1-c1cccc(F)c1
InChIInChI=1S/C24H25BFNO2/c1-16-13-22(27-15-21(16)18-7-6-8-20(26)14-18)17-9-11-19(12-10-17)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3
InChIKeyIGTGSMOCAQZQFY-UHFFFAOYSA-N
MW389.28 g/mol
LogP5.16
Rot. Bonds3

About 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 140838545) has the molecular formula C24H25BFNO2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID140838545
Molecular FormulaC24H25BFNO2
Molecular Weight389.28 g/mol
Exact Mass389.20
IUPAC Name5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1-c1cccc(F)c1
InChIInChI=1S/C24H25BFNO2/c1-16-13-22(27-15-21(16)18-7-6-8-20(26)14-18)17-9-11-19(12-10-17)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3
InChIKeyIGTGSMOCAQZQFY-UHFFFAOYSA-N
XLogP5.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.28
LogP ≤ 55.16
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 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 140838545) is 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is Cc1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ncc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is IGTGSMOCAQZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BFNO2/c1-16-13-22(27-15-21(16)18-7-6-8-20(26)14-18)17-9-11-19(12-10-17)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3.
What are the key properties of 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 389.28 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 140838545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).