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

C16H22BBrN4O2 — CID 159074433

IUPAC5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(Br)cn1
InChIInChI=1S/C11H17BN2O2.C5H5BrN2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;6-4-1-2-5(7)8-3-4/h5-7H,1-4H3,(H2,13,14);1-3H,(H2,7,8)
InChIKeyKABMVYRHWVAIFO-UHFFFAOYSA-N
MW393.09 g/mol
LogP2.39
Rot. Bonds1

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

5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 159074433) has the molecular formula C16H22BBrN4O2 and a molecular weight of 393.09 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID159074433
Molecular FormulaC16H22BBrN4O2
Molecular Weight393.09 g/mol
Exact Mass392.10
IUPAC Name5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(Br)cn1
InChIInChI=1S/C11H17BN2O2.C5H5BrN2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;6-4-1-2-5(7)8-3-4/h5-7H,1-4H3,(H2,13,14);1-3H,(H2,7,8)
InChIKeyKABMVYRHWVAIFO-UHFFFAOYSA-N
XLogP2.39
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.09
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester
CID 16217946
2-(4-Methylpiperazin-1-yl)pyridine-4-boronic acid, pinacol ester
CID 2769537
1-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine
CID 2769618
2-(1-Piperaziny) pyridine-4-boronic acid pinacol ester
CID 16217948
1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine
CID 16414210
2-Aminopyridine-3-boronic acid, pinacol ester
CID 43811067
2-(Methylamino)pyridine-4-boronic acid pinacol ester
CID 49760430
N-(Piperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 44755169
1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
CID 46737992
N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine hydrochloride
CID 132398981

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 159074433) is 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is KABMVYRHWVAIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2.C5H5BrN2/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;6-4-1-2-5(7)8-3-4/h5-7H,1-4H3,(H2,13,14);1-3H,(H2,7,8).
What are the key properties of 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 393.09 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 159074433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).