(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid

C6H6BBrFNO2 — CID 160725484

IUPAC(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid
SMILESCc1nc(Br)cc(B(O)O)c1F
InChIInChI=1S/C6H6BBrFNO2/c1-3-6(9)4(7(11)12)2-5(8)10-3/h2,11-12H,1H3
InChIKeyHNWNOTFAQRWFLU-UHFFFAOYSA-N
MW233.83 g/mol
LogP-0.03
Rot. Bonds1

About (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid

(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid (PubChem CID 160725484) has the molecular formula C6H6BBrFNO2 and a molecular weight of 233.83 g/mol. Its IUPAC name is (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid
PubChem CID160725484
Molecular FormulaC6H6BBrFNO2
Molecular Weight233.83 g/mol
Exact Mass232.97
IUPAC Name(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid
SMILESCc1nc(Br)cc(B(O)O)c1F
InChIInChI=1S/C6H6BBrFNO2/c1-3-6(9)4(7(11)12)2-5(8)10-3/h2,11-12H,1H3
InChIKeyHNWNOTFAQRWFLU-UHFFFAOYSA-N
XLogP-0.03
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.83
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(6-bromo-2,4-dimethyl-3-pyridinyl)boronic acid
CID 44755186
6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
CID 83488601
(3-bromo-2,4,5-trifluorophenyl)boronic acid
CID 154814175
(5-borono-2,6-difluoro-3-pyridinyl)boronic acid
CID 163276200
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
4-bromo-6-chloro-2-methylpyrimidine
CID 66521090
3-borono-5-bromo-4-fluorobenzoic acid
CID 44558169
3-borono-5-bromo-2-fluorobenzoic acid
CID 44558193
(3-bromo-5-ethyl-2-fluorophenyl)boronic acid
CID 134715481
(6,7-difluoro-1,2-dimethylbenzimidazol-5-yl)boronic acid
CID 75485978
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
(1,4,5,6,7,8-hexafluoronaphthalen-2-yl)boronic acid
CID 155897456

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid?
The IUPAC name of (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid (CID 160725484) is (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid.
What is the SMILES notation for (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid?
The canonical SMILES for (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid is Cc1nc(Br)cc(B(O)O)c1F.
What is the InChIKey of (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid?
The InChIKey is HNWNOTFAQRWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BBrFNO2/c1-3-6(9)4(7(11)12)2-5(8)10-3/h2,11-12H,1H3.
What are the key properties of (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid?
(6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid has a molecular weight of 233.83 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-fluoro-2-methyl-4-pyridinyl)boronic acid is sourced from PubChem (CID 160725484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).