acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C63H86B4BrCuN7O12 — CID 167563956

About acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167563956) has the molecular formula C63H86B4BrCuN7O12 and a molecular weight of 1320.12 g/mol. Its IUPAC name is acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 167563956
• Molecular Formula: C63H86B4BrCuN7O12
• Molecular Weight: 1320.12 g/mol
• Exact Mass: 1318.52
• IUPAC Name: acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cn(C2CC2)c2ncccc12.C1=Cc2cccnc2C1.CC(=O)O.CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cn(C3CC3)c3ncccc23)OC1(C)C.OB(O)C1CC1.[Cu].c1cnc2c(c1)ccn2C1CC1
• InChI: InChI=1S/C16H21BN2O2.C12H24B2O4.C10H9BrN2.C10H10N2.C8H7N.C3H7BO2.2C2H4O2.Cu/c1-15(2)16(3,4)21-17(20-15)13-10-19(11-7-8-11)14-12(13)6-5-9-18-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-6-13(7-3-4-7)10-8(9)2-1-5-12-10;1-2-8-5-7-12(9-3-4-9)10(8)11-6-1;1-3-7-4-2-6-9-8(7)5-1;5-4(6)3-1-2-3;2*1-2(3)4;/h5-6,9-11H,7-8H2,1-4H3;1-8H3;1-2,5-7H,3-4H2;1-2,5-7,9H,3-4H2;1-4,6H,5H2;3,5-6H,1-2H2;2*1H3,(H,3,4)
• InChIKey: NGBKPFYLLQSXHU-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 236.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.12
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167563956) is acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cn(C2CC2)c2ncccc12.C1=Cc2cccnc2C1.CC(=O)O.CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cn(C3CC3)c3ncccc23)OC1(C)C.OB(O)C1CC1.[Cu].c1cnc2c(c1)ccn2C1CC1.

What is the InChIKey of acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is NGBKPFYLLQSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BN2O2.C12H24B2O4.C10H9BrN2.C10H10N2.C8H7N.C3H7BO2.2C2H4O2.Cu/c1-15(2)16(3,4)21-17(20-15)13-10-19(11-7-8-11)14-12(13)6-5-9-18-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;11-9-6-13(7-3-4-7)10-8(9)2-1-5-12-10;1-2-8-5-7-12(9-3-4-9)10(8)11-6-1;1-3-7-4-2-6-9-8(7)5-1;5-4(6)3-1-2-3;2*1-2(3)4;/h5-6,9-11H,7-8H2,1-4H3;1-8H3;1-2,5-7H,3-4H2;1-2,5-7,9H,3-4H2;1-4,6H,5H2;3,5-6H,1-2H2;2*1H3,(H,3,4);.

What are the key properties of acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1320.12 g/mol, XLogP of 11.88, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;3-bromo-1-cyclopropylpyrrolo[2,3-b]pyridine;copper;7H-cyclopenta[b]pyridine;cyclopropylboronic acid;1-cyclopropylpyrrolo[2,3-b]pyridine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 167563956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).