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

C33H35Br4IN8Si2 — CID 159562459

IUPAC5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane
SMILESBrc1cnc2[nH]ccc2c1.C#C[SiH](C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1I
InChIInChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4BrIN2.C4H8Si/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;1-4-5(2)3/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1,5H,2-3H3
InChIKeyMGUGVINTZIBXEZ-UHFFFAOYSA-N
MW1046.39 g/mol
LogP9.06
Rot. Bonds

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

5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane (PubChem CID 159562459) has the molecular formula C33H35Br4IN8Si2 and a molecular weight of 1046.39 g/mol. Its IUPAC name is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane.

Molecular Properties

Compound Name5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane
PubChem CID159562459
Molecular FormulaC33H35Br4IN8Si2
Molecular Weight1046.39 g/mol
Exact Mass1041.83
IUPAC Name5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane
SMILESBrc1cnc2[nH]ccc2c1.C#C[SiH](C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1I
InChIInChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4BrIN2.C4H8Si/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;1-4-5(2)3/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1,5H,2-3H3
InChIKeyMGUGVINTZIBXEZ-UHFFFAOYSA-N
XLogP9.06
TPSA145.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.39
LogP ≤ 59.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
N-[(3-bromo-4-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 57619305
(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
CID 90768614
(4-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-tri(propan-2-yl)silane
CID 123343999
4-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline;bis(tert-butyl(dimethyl)silane);bis(N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline);molecular bromine
CID 157077794
5-bromo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
CID 157428785
5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-chloro-1H-pyrrolo[2,3-b]pyridine;(5-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 157786845
5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridine;(5-bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 157926750
N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide;5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 158320931
3-bromo-5-(4-chlorophenyl)pyridin-2-amine;5-(4-chlorophenyl)-3-ethynylpyridin-2-amine;5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-chlorophenyl)-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane;hydrofluoride
CID 158324742
5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
CID 158338326
4-[2-[5-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-2-yl]ethynyl]-N,N-dimethylaniline;5-bromo-2-iodo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-2-iodopyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane;4-ethynyl-N,N-dimethylaniline
CID 158552564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane?
The IUPAC name of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane (CID 159562459) is 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane.
What is the SMILES notation for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane?
The canonical SMILES for 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane is Brc1cnc2[nH]ccc2c1.C#C[SiH](C)C.C#Cc1cc(Br)cnc1N.C[Si](C)(C)C#Cc1cc(Br)cnc1N.Nc1ncc(Br)cc1I.
What is the InChIKey of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane?
The InChIKey is MGUGVINTZIBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2Si.2C7H5BrN2.C5H4BrIN2.C4H8Si/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;1-4-5(2)3/h6-7H,1-3H3,(H2,12,13);1-4H,(H,9,10);1,3-4H,(H2,9,10);1-2H,(H2,8,9);1,5H,2-3H3.
What are the key properties of 5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane?
5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane has a molecular weight of 1046.39 g/mol, XLogP of 9.06, 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-3-iodopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine;ethynyl(dimethyl)silane is sourced from PubChem (CID 159562459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).