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

C11H16BFN2O2 — CID 178072720

IUPAC3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(F)c(N)n2)OC1(C)C
InChIInChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)8-6-5-7(13)9(14)15-8/h5-6H,1-4H3,(H2,14,15)
InChIKeyCGQINSXQYAFKKV-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.10
Rot. Bonds1

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

3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 178072720) has the molecular formula C11H16BFN2O2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID178072720
Molecular FormulaC11H16BFN2O2
Molecular Weight238.07 g/mol
Exact Mass238.13
IUPAC Name3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(F)c(N)n2)OC1(C)C
InChIInChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)8-6-5-7(13)9(14)15-8/h5-6H,1-4H3,(H2,14,15)
InChIKeyCGQINSXQYAFKKV-UHFFFAOYSA-N
XLogP1.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 2756555
2-Aminopyridine-4-boronic acid pinacol ester
CID 45785707
5-Fluoro-6-methylpyridine-2-boronic acid pinacol ester
CID 17750478
2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 42614576
2-Aminopyridine-3-boronic acid, pinacol ester
CID 43811067
2,6-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755153
2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 46739811
2-(Methylamino)pyridine-4-boronic acid pinacol ester
CID 49760430
N,N-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine
CID 51072189
6-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 58387577
4-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinamine
CID 59251805
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 59252052

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 178072720) is 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(F)c(N)n2)OC1(C)C.
What is the InChIKey of 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is CGQINSXQYAFKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)8-6-5-7(13)9(14)15-8/h5-6H,1-4H3,(H2,14,15).
What are the key properties of 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 238.07 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 178072720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).