5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine

C17H18Br2N4Si — CID 160524655

IUPAC5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N
InChIInChI=1S/C10H13BrN2Si.C7H5BrN2/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;1-2-5-3-6(8)4-10-7(5)9/h6-7H,1-3H3,(H2,12,13);1,3-4H,(H2,9,10)
InChIKeyQUSRHUAMYZZZKI-UHFFFAOYSA-N
MW466.25 g/mol
LogP4.06
Rot. Bonds

About 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine

5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine (PubChem CID 160524655) has the molecular formula C17H18Br2N4Si and a molecular weight of 466.25 g/mol. Its IUPAC name is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine
PubChem CID160524655
Molecular FormulaC17H18Br2N4Si
Molecular Weight466.25 g/mol
Exact Mass463.97
IUPAC Name5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine
SMILESC#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N
InChIInChI=1S/C10H13BrN2Si.C7H5BrN2/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;1-2-5-3-6(8)4-10-7(5)9/h6-7H,1-3H3,(H2,12,13);1,3-4H,(H2,9,10)
InChIKeyQUSRHUAMYZZZKI-UHFFFAOYSA-N
XLogP4.06
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine (CID 160524655) is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine is C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine?
The InChIKey is QUSRHUAMYZZZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2Si.C7H5BrN2/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;1-2-5-3-6(8)4-10-7(5)9/h6-7H,1-3H3,(H2,12,13);1,3-4H,(H2,9,10).
What are the key properties of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine?
5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine has a molecular weight of 466.25 g/mol, XLogP of 4.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine is sourced from PubChem (CID 160524655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).