5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane

C37H49Br5N8Si2 — CID 159163747

IUPAC5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane
SMILESBrc1cnc2[nH]ccc2c1.C.C.C.C#C[Si](C)(C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1Br
InChIInChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4Br2N2.C5H10Si.3CH4/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;8-6-3-5-1-2-9-7(5)10-4-6;1-2-5-3-6(8)4-10-7(5)9;6-3-1-4(7)5(8)9-2-3;1-5-6(2,3)4;;;/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1H,2-4H3;3*1H4
InChIKeyKKUVYQVPTZURTD-UHFFFAOYSA-N
MW1061.55 g/mol
LogP11.98
Rot. Bonds

About 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane

5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane (PubChem CID 159163747) has the molecular formula C37H49Br5N8Si2 and a molecular weight of 1061.55 g/mol. Its IUPAC name is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane.

Molecular Properties

Compound Name5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane
PubChem CID159163747
Molecular FormulaC37H49Br5N8Si2
Molecular Weight1061.55 g/mol
Exact Mass1055.95
IUPAC Name5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane
SMILESBrc1cnc2[nH]ccc2c1.C.C.C.C#C[Si](C)(C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1Br
InChIInChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4Br2N2.C5H10Si.3CH4/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;8-6-3-5-1-2-9-7(5)10-4-6;1-2-5-3-6(8)4-10-7(5)9;6-3-1-4(7)5(8)9-2-3;1-5-6(2,3)4;;;/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1H,2-4H3;3*1H4
InChIKeyKKUVYQVPTZURTD-UHFFFAOYSA-N
XLogP11.98
TPSA145.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.55
LogP ≤ 511.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane with MolForge

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Related Compounds

US10851116, Example 12
CID 135240889
N-[(3-bromo-4-pyridinyl)methyl]-6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 67201828
5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 87663996
5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 159646966
3-[[5-[(3-bromo-4-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 173529637
3-[4-(5-bromopyridin-2-yl)-piperazin-1-yl]methyl-1H-pyrrolo[2,3-b]pyridine
CID 19614007
N-[(3-bromo-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 57619305
3-[[6-[2-(3-bromo-4-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442162
(5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-tri(propan-2-yl)silane
CID 69168925
(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
CID 87769777
3-[[4-(6-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 88325740
(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
CID 90768614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane?
The IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane (CID 159163747) is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane.
What is the SMILES notation for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane?
The canonical SMILES for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane is Brc1cnc2[nH]ccc2c1.C.C.C.C#C[Si](C)(C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1Br.
What is the InChIKey of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane?
The InChIKey is KKUVYQVPTZURTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4Br2N2.C5H10Si.3CH4/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12;8-6-3-5-1-2-9-7(5)10-4-6;1-2-5-3-6(8)4-10-7(5)9;6-3-1-4(7)5(8)9-2-3;1-5-6(2,3)4;;;/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1H,2-4H3;3*1H4.
What are the key properties of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane?
5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane has a molecular weight of 1061.55 g/mol, XLogP of 11.98, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;3,5-dibromopyridin-2-amine;ethynyl(trimethyl)silane;methane is sourced from PubChem (CID 159163747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).