6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C146H139B3Br3Cl2N25O17 — CID 159919803

About 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159919803) has the molecular formula C146H139B3Br3Cl2N25O17 and a molecular weight of 2858.93 g/mol. Its IUPAC name is 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;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: 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159919803
• Molecular Formula: C146H139B3Br3Cl2N25O17
• Molecular Weight: 2858.93 g/mol
• Exact Mass: 2853.80
• IUPAC Name: 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(-c2ccc3cc(C(=O)Cc4ccccn4)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(C(=O)Cc4ccccn4)[nH]c3c2)OC1(C)C.Nc1ccccn1.O=C(Cc1ccccn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.O=C(Cc1ccccn1)c1cc2ccc(Br)cc2[nH]1.O=C(Cl)c1cc2ccc(Br)cc2[nH]1.O=C(O)c1cc2ccc(Br)cc2[nH]1
• InChI: InChI=1S/C32H28N6O3.C26H19N7O.C21H23BN2O3.C17H17ClN4O2.C15H11BrN2O.C12H24B2O4.C9H5BrClNO.C9H6BrNO2.C5H6N2/c1-32(2,3)41-31(40)38(25-10-9-22-18-33-19-23(22)14-25)29-11-13-35-30(37-29)21-8-7-20-15-27(36-26(20)16-21)28(39)17-24-6-4-5-12-34-24;34-24(14-19-3-1-2-9-27-19)23-12-16-4-5-17(13-22(16)31-23)26-28-10-8-25(32-26)30-20-6-7-21-18(11-20)15-29-33-21;1-20(2)21(3,4)27-22(26-20)15-9-8-14-11-18(24-17(14)12-15)19(25)13-16-7-5-6-10-23-16;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;16-11-5-4-10-7-14(18-13(10)8-11)15(19)9-12-3-1-2-6-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-6-2-1-5-3-8(9(11)13)12-7(5)4-6;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;6-5-3-1-2-4-7-5/h4-16,19,36H,17-18H2,1-3H3;1-13,15,31H,14H2,(H,29,33)(H,28,30,32);5-12,24H,13H2,1-4H3;4-8,10H,9H2,1-3H3;1-8,18H,9H2;1-8H3;1-4,12H;1-4,11H,(H,12,13);1-4H,(H2,6,7)
• InChIKey: NYGDLCULYYJIEH-UHFFFAOYSA-N
• XLogP: 31.54
• TPSA: 565.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2858.93
LogP ≤ 5	31.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;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 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159919803) is 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;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 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;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 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(-c2ccc3cc(C(=O)Cc4ccccn4)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(C(=O)Cc4ccccn4)[nH]c3c2)OC1(C)C.Nc1ccccn1.O=C(Cc1ccccn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.O=C(Cc1ccccn1)c1cc2ccc(Br)cc2[nH]1.O=C(Cl)c1cc2ccc(Br)cc2[nH]1.O=C(O)c1cc2ccc(Br)cc2[nH]1.

What is the InChIKey of 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is NYGDLCULYYJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6O3.C26H19N7O.C21H23BN2O3.C17H17ClN4O2.C15H11BrN2O.C12H24B2O4.C9H5BrClNO.C9H6BrNO2.C5H6N2/c1-32(2,3)41-31(40)38(25-10-9-22-18-33-19-23(22)14-25)29-11-13-35-30(37-29)21-8-7-20-15-27(36-26(20)16-21)28(39)17-24-6-4-5-12-34-24;34-24(14-19-3-1-2-9-27-19)23-12-16-4-5-17(13-22(16)31-23)26-28-10-8-25(32-26)30-20-6-7-21-18(11-20)15-29-33-21;1-20(2)21(3,4)27-22(26-20)15-9-8-14-11-18(24-17(14)12-15)19(25)13-16-7-5-6-10-23-16;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;16-11-5-4-10-7-14(18-13(10)8-11)15(19)9-12-3-1-2-6-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-6-2-1-5-3-8(9(11)13)12-7(5)4-6;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;6-5-3-1-2-4-7-5/h4-16,19,36H,17-18H2,1-3H3;1-13,15,31H,14H2,(H,29,33)(H,28,30,32);5-12,24H,13H2,1-4H3;4-8,10H,9H2,1-3H3;1-8,18H,9H2;1-8H3;1-4,12H;1-4,11H,(H,12,13);1-4H,(H2,6,7).

What are the key properties of 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;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 2858.93 g/mol, XLogP of 31.54, 24 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-indole-2-carbonyl chloride;6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyridin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-isoindol-5-yl)-N-[2-[2-(2-pyridin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyridin-2-ylethanone;pyridin-2-amine;2-pyridin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;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 159919803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).