2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

C17H19BFNO2 — CID 131329618

IUPAC2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCC1(C)OB(c2cccc(F)c2-c2ccccn2)OC1(C)C
InChIInChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)12-8-7-9-13(19)15(12)14-10-5-6-11-20-14/h5-11H,1-4H3
InChIKeyQUMVTPSOEWPNHS-UHFFFAOYSA-N
MW299.15 g/mol
LogP3.19
Rot. Bonds2

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

2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 131329618) has the molecular formula C17H19BFNO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID131329618
Molecular FormulaC17H19BFNO2
Molecular Weight299.15 g/mol
Exact Mass299.15
IUPAC Name2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESCC1(C)OB(c2cccc(F)c2-c2ccccn2)OC1(C)C
InChIInChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)12-8-7-9-13(19)15(12)14-10-5-6-11-20-14/h5-11H,1-4H3
InChIKeyQUMVTPSOEWPNHS-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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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Triprolidine Hydrochloride Anhydrous
CID 5702129
2-(3-Phenylpropyl)Pyridine
CID 459494
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
Triprolidine hydrochloride monohydrate
CID 5284472
2-(2-Phenylethyl)pyridine
CID 75028
Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
CID 6604866
2-(1-Phenylethenyl)pyridine
CID 139919

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 131329618) is 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is CC1(C)OB(c2cccc(F)c2-c2ccccn2)OC1(C)C.
What is the InChIKey of 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is QUMVTPSOEWPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BFNO2/c1-16(2)17(3,4)22-18(21-16)12-8-7-9-13(19)15(12)14-10-5-6-11-20-14/h5-11H,1-4H3.
What are the key properties of 2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
2-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 131329618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).