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

C57H76Br3N9Si2 — CID 157077794

About 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

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 (PubChem CID 157077794) has the molecular formula C57H76Br3N9Si2 and a molecular weight of 1183.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157077794
• Molecular Formula: C57H76Br3N9Si2
• Molecular Weight: 1183.18 g/mol
• Exact Mass: 1179.33
• IUPAC Name: 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
• SMILES: BrBr.CN(C)c1ccc(-c2cnc3[nH]cc(Br)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.C[SiH](C)C(C)(C)C.C[SiH](C)C(C)(C)C
• InChI: InChI=1S/C15H14BrN3.2C15H15N3.2C6H16Si.Br2/c1-19(2)12-5-3-10(4-6-12)11-7-13-14(16)9-18-15(13)17-8-11;2*1-18(2)14-5-3-11(4-6-14)13-9-12-7-8-16-15(12)17-10-13;2*1-6(2,3)7(4)5;1-2/h3-9H,1-2H3,(H,17,18);2*3-10H,1-2H3,(H,16,17);2*7H,1-5H3
• InChIKey: ADEGRJMKISGVPW-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 95.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.18
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is BrBr.CN(C)c1ccc(-c2cnc3[nH]cc(Br)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.C[SiH](C)C(C)(C)C.C[SiH](C)C(C)(C)C.

What is the InChIKey of 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?

The InChIKey is ADEGRJMKISGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3.2C15H15N3.2C6H16Si.Br2/c1-19(2)12-5-3-10(4-6-12)11-7-13-14(16)9-18-15(13)17-8-11;2*1-18(2)14-5-3-11(4-6-14)13-9-12-7-8-16-15(12)17-10-13;2*1-6(2,3)7(4)5;1-2/h3-9H,1-2H3,(H,17,18);2*3-10H,1-2H3,(H,16,17);2*7H,1-5H3;.

What are the key properties of 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?

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 has a molecular weight of 1183.18 g/mol, XLogP of 16.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157077794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).