5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C16H20BBrF2N4O2 — CID 159629941

IUPAC5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(N)nc2F)OC1(C)C.Nc1ccc(Br)c(F)n1
InChIInChI=1S/C11H16BFN2O2.C5H4BrFN2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(14)15-9(7)13;6-3-1-2-4(8)9-5(3)7/h5-6H,1-4H3,(H2,14,15);1-2H,(H2,8,9)
InChIKeyMOZIZPHYVQAMLM-UHFFFAOYSA-N
MW429.07 g/mol
LogP2.67
Rot. Bonds1

About 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 159629941) has the molecular formula C16H20BBrF2N4O2 and a molecular weight of 429.07 g/mol. Its IUPAC name is 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID159629941
Molecular FormulaC16H20BBrF2N4O2
Molecular Weight429.07 g/mol
Exact Mass428.08
IUPAC Name5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(N)nc2F)OC1(C)C.Nc1ccc(Br)c(F)n1
InChIInChI=1S/C11H16BFN2O2.C5H4BrFN2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(14)15-9(7)13;6-3-1-2-4(8)9-5(3)7/h5-6H,1-4H3,(H2,14,15);1-2H,(H2,8,9)
InChIKeyMOZIZPHYVQAMLM-UHFFFAOYSA-N
XLogP2.67
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.07
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 59507872
6-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 133616632
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161309921
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161426652
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;3-(trifluoromethyl)pyridin-2-amine
CID 161833786
3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162093391
6-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2-amine
CID 162342484
3-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 178072720
6-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-2-amine
CID 57416678
(6-Amino-4-fluoropyridin-2-YL)boronic acid pinacol ester
CID 72214378
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 133629066
5-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 133677365

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 159629941) is 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2F)OC1(C)C.Nc1ccc(Br)c(F)n1.
What is the InChIKey of 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is MOZIZPHYVQAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BFN2O2.C5H4BrFN2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(14)15-9(7)13;6-3-1-2-4(8)9-5(3)7/h5-6H,1-4H3,(H2,14,15);1-2H,(H2,8,9).
What are the key properties of 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 429.07 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoropyridin-2-amine;6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 159629941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).