Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine

C₁₆₇H₂₁₇Br₃Cl₃N₂₉OS — CID 158526939

About Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine

Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine (PubChem CID 158526939) has the molecular formula C₁₆₇H₂₁₇Br₃Cl₃N₂₉OS and a molecular weight of 3024.91 g/mol. Its IUPAC name is bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine.

Molecular Properties

• Compound Name: Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine
• PubChem CID: 158526939
• Molecular Formula: C₁₆₇H₂₁₇Br₃Cl₃N₂₉OS
• Molecular Weight: 3024.91 g/mol
• Exact Mass: 3018.42
• IUPAC Name: bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine
• SMILES: CC(C)(C)c1cc2c(Br)cncc2[nH]1.CC(C)(C)c1cc2c(N)cncc2[nH]1.CC(C)(C)c1cc2ccnc(Cl)c2[nH]1.Cc1cc2oc(C(C)(C)C)cc2cn1.Cc1cc2sc(C(C)(C)C)cc2cn1.Cc1nccc2cc(C(C)(C)C)[nH]c12.Cc1nccc2cc(C(C)(C)C)n(C)c12.Cc1nccc2cc(C(C)(C)C)n(C)c12.Cn1c(C(C)(C)C)cc2c(Br)cncc21.Cn1c(C(C)(C)C)cc2c(Br)cncc21.Cn1c(C(C)(C)C)cc2c(N)cncc21.Cn1c(C(C)(C)C)cc2c(N)cncc21.Cn1c(C(C)(C)C)cc2ccnc(Cl)c21.Cn1c(C(C)(C)C)cc2ccnc(Cl)c21
• InChI: InChI=1S/2C13H18N2.2C12H15BrN2.2C12H15ClN2.2C12H17N3.C12H16N2.C12H15NO.C12H15NS.C11H13BrN2.C11H13ClN2.C11H15N3/c2*1-9-12-10(6-7-14-9)8-11(15(12)5)13(2,3)4;2*1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4;2*1-12(2,3)9-7-8-5-6-14-11(13)10(8)15(9)4;2*1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4;1-8-11-9(5-6-13-8)7-10(14-11)12(2,3)4;2*1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-11(2,3)10-4-7-8(12)5-13-6-9(7)14-10;1-11(2,3)8-6-7-4-5-13-10(12)9(7)14-8;1-11(2,3)10-4-7-8(12)5-13-6-9(7)14-10/h2*6-8H,1-5H3;4*5-7H,1-4H3;2*5-7H,13H2,1-4H3;5-7,14H,1-4H3;2*5-7H,1-4H3;2*4-6,14H,1-3H3;4-6,14H,12H2,1-3H3
• InChIKey: HMWYHJMMGUHFPX-UHFFFAOYSA-N
• XLogP: 45.66
• TPSA: 374.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3024.91
LogP ≤ 5	45.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine?

The IUPAC name of Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine (CID 158526939) is bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine.

What is the SMILES notation for Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine?

The canonical SMILES for Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine is CC(C)(C)c1cc2c(Br)cncc2[nH]1.CC(C)(C)c1cc2c(N)cncc2[nH]1.CC(C)(C)c1cc2ccnc(Cl)c2[nH]1.Cc1cc2oc(C(C)(C)C)cc2cn1.Cc1cc2sc(C(C)(C)C)cc2cn1.Cc1nccc2cc(C(C)(C)C)[nH]c12.Cc1nccc2cc(C(C)(C)C)n(C)c12.Cc1nccc2cc(C(C)(C)C)n(C)c12.Cn1c(C(C)(C)C)cc2c(Br)cncc21.Cn1c(C(C)(C)C)cc2c(Br)cncc21.Cn1c(C(C)(C)C)cc2c(N)cncc21.Cn1c(C(C)(C)C)cc2c(N)cncc21.Cn1c(C(C)(C)C)cc2ccnc(Cl)c21.Cn1c(C(C)(C)C)cc2ccnc(Cl)c21.

What is the InChIKey of Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine?

The InChIKey is HMWYHJMMGUHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2.2C12H15BrN2.2C12H15ClN2.2C12H17N3.C12H16N2.C12H15NO.C12H15NS.C11H13BrN2.C11H13ClN2.C11H15N3/c2*1-9-12-10(6-7-14-9)8-11(15(12)5)13(2,3)4;2*1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4;2*1-12(2,3)9-7-8-5-6-14-11(13)10(8)15(9)4;2*1-12(2,3)11-5-8-9(13)6-14-7-10(8)15(11)4;1-8-11-9(5-6-13-8)7-10(14-11)12(2,3)4;2*1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-11(2,3)10-4-7-8(12)5-13-6-9(7)14-10;1-11(2,3)8-6-7-4-5-13-10(12)9(7)14-8;1-11(2,3)10-4-7-8(12)5-13-6-9(7)14-10/h2*6-8H,1-5H3;4*5-7H,1-4H3;2*5-7H,13H2,1-4H3;5-7,14H,1-4H3;2*5-7H,1-4H3;2*4-6,14H,1-3H3;4-6,14H,12H2,1-3H3.

What are the key properties of Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine?

Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine has a molecular weight of 3024.91 g/mol, XLogP of 45.66, 0 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine);4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine);2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;bis(2-tert-butyl-1,7-dimethylpyrrolo[2,3-c]pyridine);2-tert-butyl-6-methylfuro[3,2-c]pyridine;bis(2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine);2-tert-butyl-7-methyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-6-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine is sourced from PubChem (CID 158526939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158526939 — identifiers, structure, computed properties (public domain)

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