3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride

C76H89Br4ClN12O6Si2 — CID 159312380

About 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride

3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride (PubChem CID 159312380) has the molecular formula C76H89Br4ClN12O6Si2 and a molecular weight of 1677.87 g/mol. Its IUPAC name is 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride
• PubChem CID: 159312380
• Molecular Formula: C76H89Br4ClN12O6Si2
• Molecular Weight: 1677.87 g/mol
• Exact Mass: 1672.30
• IUPAC Name: 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride
• SMILES: Brc1cccnc1Br.Brc1cccnc1NC1[C@H]2COC[C@@H]12.Brc1cn(C2[C@H]3COC[C@@H]23)c2ncccc12.C#C[Si](C)(C)C.C#Cc1cccnc1NC1[C@H]2COC[C@@H]12.C[Si](C)(C)C#Cc1cccnc1NC1[C@H]2COC[C@@H]12.Cl.NC1[C@H]2COC[C@@H]12.c1cnc2c(c1)ccn2C1[C@H]2COC[C@@H]12
• InChI: InChI=1S/C15H20N2OSi.C12H11BrN2O.2C12H12N2O.C10H11BrN2O.C5H3Br2N.C5H9NO.C5H10Si.ClH/c1-19(2,3)8-6-11-5-4-7-16-15(11)17-14-12-9-18-10-13(12)14;13-10-4-15(11-8-5-16-6-9(8)11)12-7(10)2-1-3-14-12;1-2-8-3-5-14(12(8)13-4-1)11-9-6-15-7-10(9)11;1-2-8-4-3-5-13-12(8)14-11-9-6-15-7-10(9)11;11-8-2-1-3-12-10(8)13-9-6-4-14-5-7(6)9;6-4-2-1-3-8-5(4)7;6-5-3-1-7-2-4(3)5;1-5-6(2,3)4;/h4-5,7,12-14H,9-10H2,1-3H3,(H,16,17);1-4,8-9,11H,5-6H2;1-5,9-11H,6-7H2;1,3-5,9-11H,6-7H2,(H,13,14);1-3,6-7,9H,4-5H2,(H,12,13);1-3H;3-5H,1-2,6H2;1H,2-4H3;1H/t12-,13+,14?;8-,9+,11?;2*9-,10+,11?;6-,7+,9?;;3-,4+,5?
• InChIKey: YMEKJWOYQZQVEY-KZBXWHLCSA-N
• XLogP: 13.97
• TPSA: 204.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.87
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride?

The IUPAC name of 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride (CID 159312380) is 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride.

What is the SMILES notation for 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride?

The canonical SMILES for 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride is Brc1cccnc1Br.Brc1cccnc1NC1[C@H]2COC[C@@H]12.Brc1cn(C2[C@H]3COC[C@@H]23)c2ncccc12.C#C[Si](C)(C)C.C#Cc1cccnc1NC1[C@H]2COC[C@@H]12.C[Si](C)(C)C#Cc1cccnc1NC1[C@H]2COC[C@@H]12.Cl.NC1[C@H]2COC[C@@H]12.c1cnc2c(c1)ccn2C1[C@H]2COC[C@@H]12.

What is the InChIKey of 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride?

The InChIKey is YMEKJWOYQZQVEY-KZBXWHLCSA-N. The full InChI is InChI=1S/C15H20N2OSi.C12H11BrN2O.2C12H12N2O.C10H11BrN2O.C5H3Br2N.C5H9NO.C5H10Si.ClH/c1-19(2,3)8-6-11-5-4-7-16-15(11)17-14-12-9-18-10-13(12)14;13-10-4-15(11-8-5-16-6-9(8)11)12-7(10)2-1-3-14-12;1-2-8-3-5-14(12(8)13-4-1)11-9-6-15-7-10(9)11;1-2-8-4-3-5-13-12(8)14-11-9-6-15-7-10(9)11;11-8-2-1-3-12-10(8)13-9-6-4-14-5-7(6)9;6-4-2-1-3-8-5(4)7;6-5-3-1-7-2-4(3)5;1-5-6(2,3)4;/h4-5,7,12-14H,9-10H2,1-3H3,(H,16,17);1-4,8-9,11H,5-6H2;1-5,9-11H,6-7H2;1,3-5,9-11H,6-7H2,(H,13,14);1-3,6-7,9H,4-5H2,(H,12,13);1-3H;3-5H,1-2,6H2;1H,2-4H3;1H/t12-,13+,14?;8-,9+,11?;2*9-,10+,11?;6-,7+,9?;;3-,4+,5?;;.

What are the key properties of 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride?

3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride has a molecular weight of 1677.87 g/mol, XLogP of 13.97, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 159312380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).