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

C11H15BBr2N2O2 — CID 139244986

IUPAC3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2c(Br)cnc(N)c2Br)OC1(C)C
InChIInChI=1S/C11H15BBr2N2O2/c1-10(2)11(3,4)18-12(17-10)7-6(13)5-16-9(15)8(7)14/h5H,1-4H3,(H2,15,16)
InChIKeyOPLUSAQTMYRVRH-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.49
Rot. Bonds1

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

3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 139244986) has the molecular formula C11H15BBr2N2O2 and a molecular weight of 377.87 g/mol. Its IUPAC name is 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID139244986
Molecular FormulaC11H15BBr2N2O2
Molecular Weight377.87 g/mol
Exact Mass375.96
IUPAC Name3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2c(Br)cnc(N)c2Br)OC1(C)C
InChIInChI=1S/C11H15BBr2N2O2/c1-10(2)11(3,4)18-12(17-10)7-6(13)5-16-9(15)8(7)14/h5H,1-4H3,(H2,15,16)
InChIKeyOPLUSAQTMYRVRH-UHFFFAOYSA-N
XLogP2.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.49
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
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12067062
2-Aminopyridine-4-boronic acid pinacol ester
CID 45785707
3,5-Dibromo-4-methylpyridin-2-amine
CID 817683
5-Bromo-3,4-dimethylpyridin-2-amine
CID 7010307
2-Aminopyridine-3-boronic acid, pinacol ester
CID 43811067
3-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 59137537
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
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 51034573
5-(4,4-Dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3-fluoropyridin-2-amine
CID 68111046
N-[3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pent-4-ynamide
CID 139244987

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 139244986) is 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2c(Br)cnc(N)c2Br)OC1(C)C.
What is the InChIKey of 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is OPLUSAQTMYRVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BBr2N2O2/c1-10(2)11(3,4)18-12(17-10)7-6(13)5-16-9(15)8(7)14/h5H,1-4H3,(H2,15,16).
What are the key properties of 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 377.87 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 139244986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).