4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine

C36H30Br2F2N10P2 — CID 157427456

About 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine

4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157427456) has the molecular formula C36H30Br2F2N10P2 and a molecular weight of 862.46 g/mol. Its IUPAC name is 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157427456
• Molecular Formula: C36H30Br2F2N10P2
• Molecular Weight: 862.46 g/mol
• Exact Mass: 860.05
• IUPAC Name: 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1ccnc2[nH]ccc12.Cc1cnc2[nH]ccc2c1F.Fc1ccnc2c1ccn2P.Pn1ccc2c(Br)ccnc21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C8H7FN2.C7H6BrN2P.C7H5BrN2.C7H6FN2P.C7H6N2/c1-5-4-11-8-6(7(5)9)2-3-10-8;8-6-1-3-9-7-5(6)2-4-10(7)11;8-6-2-4-10-7-5(6)1-3-9-7;8-6-1-3-9-7-5(6)2-4-10(7)11;1-2-6-3-5-9-7(6)8-4-1/h2-4H,1H3,(H,10,11);1-4H,11H2;1-4H,(H,9,10);1-4H,11H2;1-5H,(H,8,9)
• InChIKey: BQCYDJLIZXXQJW-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 121.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.46
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine (CID 157427456) is 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine is Brc1ccnc2[nH]ccc12.Cc1cnc2[nH]ccc2c1F.Fc1ccnc2c1ccn2P.Pn1ccc2c(Br)ccnc21.c1cnc2[nH]ccc2c1.

What is the InChIKey of 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BQCYDJLIZXXQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.C7H6BrN2P.C7H5BrN2.C7H6FN2P.C7H6N2/c1-5-4-11-8-6(7(5)9)2-3-10-8;8-6-1-3-9-7-5(6)2-4-10(7)11;8-6-2-4-10-7-5(6)1-3-9-7;8-6-1-3-9-7-5(6)2-4-10(7)11;1-2-6-3-5-9-7(6)8-4-1/h2-4H,1H3,(H,10,11);1-4H,11H2;1-4H,(H,9,10);1-4H,11H2;1-5H,(H,8,9).

What are the key properties of 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine?

4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 862.46 g/mol, XLogP of 10.15, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1H-pyrrolo[2,3-b]pyridine;(4-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;4-fluoro-5-methyl-1H-pyrrolo[2,3-b]pyridine;(4-fluoropyrrolo[2,3-b]pyridin-1-yl)phosphane;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157427456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).