5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid

C22H18BBrF2N2O2 — CID 159152393

IUPAC5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid
SMILESFc1ccc(-c2ccccc2)cn1.Fc1ccc(Br)cn1.OB(O)c1ccccc1
InChIInChI=1S/C11H8FN.C6H7BO2.C5H3BrFN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4/h1-8H;1-5,8-9H;1-3H
InChIKeyKJLUZRMWUPIXOK-UHFFFAOYSA-N
MW471.11 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid

5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid (PubChem CID 159152393) has the molecular formula C22H18BBrF2N2O2 and a molecular weight of 471.11 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid.

Molecular Properties

Compound Name5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid
PubChem CID159152393
Molecular FormulaC22H18BBrF2N2O2
Molecular Weight471.11 g/mol
Exact Mass470.06
IUPAC Name5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid
SMILESFc1ccc(-c2ccccc2)cn1.Fc1ccc(Br)cn1.OB(O)c1ccccc1
InChIInChI=1S/C11H8FN.C6H7BO2.C5H3BrFN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4/h1-8H;1-5,8-9H;1-3H
InChIKeyKJLUZRMWUPIXOK-UHFFFAOYSA-N
XLogP4.24
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.11
LogP ≤ 54.24
H-Bond Donors ≤ 52
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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Related Compounds

3-[2-[4-Fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264841
(E)-4-(3-(4-bromostyryl)-5-fluorophenyl)pyridine
CID 121481820
(E)-4-(3-fluoro-5-(4-(pyridin-4-yl)styryl)phenyl)pyridine
CID 121481848
4-(3-Fluoro-5-(4-(pyridin-4-yl)phenethyl)phenyl)pyridine
CID 121481872
4-Fluoro-3-(pyridin-3-yl)benzeneboronic acid
CID 22473573
4-[1,2-Diphenyl-2-(4-pyridinyl)vinyl]pyridine
CID 1203603
5-(4-Bromophenyl)-2,2'-bipyridine
CID 12186608
1,1'-Bis(4-boronobenzyl)-(4,4'-bipyridine)-1,1'-diium bromide
CID 10121147
3-(4-Bromo-2-fluorophenyl)pyridine
CID 49761828
6-(4-Bromophenyl)-4-(4-fluorophenyl)-2,2'-bipyridine
CID 73891082
4-[2,3,5,6-Tetrafluoro-4-(2,3,5,6-tetrafluoro-4-pyridin-4-ylphenyl)phenyl]pyridine
CID 91552480
4-[[2,3,5,6-Tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(pyridin-4-ylmethyl)phenyl]phenyl]methyl]pyridine
CID 91565091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid?
The IUPAC name of 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid (CID 159152393) is 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid.
What is the SMILES notation for 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid?
The canonical SMILES for 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid is Fc1ccc(-c2ccccc2)cn1.Fc1ccc(Br)cn1.OB(O)c1ccccc1.
What is the InChIKey of 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid?
The InChIKey is KJLUZRMWUPIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN.C6H7BO2.C5H3BrFN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4/h1-8H;1-5,8-9H;1-3H.
What are the key properties of 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid?
5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid has a molecular weight of 471.11 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine;2-fluoro-5-phenylpyridine;phenylboronic acid is sourced from PubChem (CID 159152393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).