3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine

C55H54Br2N16P4 — CID 159138890

About 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine

3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159138890) has the molecular formula C55H54Br2N16P4 and a molecular weight of 1222.85 g/mol. Its IUPAC name is 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159138890
• Molecular Formula: C55H54Br2N16P4
• Molecular Weight: 1222.85 g/mol
• Exact Mass: 1220.20
• IUPAC Name: 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1c[nH]c2ncccc12.CCc1c[nH]c2ncccc12.CCc1cn(P)c2ncccc12.N#Cc1cn(P)c2ncccc12.NCc1cn(P)c2ncccc12.Pn1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C9H11N2P.C9H10N2.C8H10N3P.C8H6N3P.C7H6BrN2P.C7H5BrN2.C7H6N2/c1-2-7-6-11(12)9-8(7)4-3-5-10-9;1-2-7-6-11-9-8(7)4-3-5-10-9;2*9-4-6-5-11(12)8-7(6)2-1-3-10-8;8-6-4-10(11)7-5(6)2-1-3-9-7;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h3-6H,2,12H2,1H3;3-6H,2H2,1H3,(H,10,11);1-3,5H,4,9,12H2;1-3,5H,12H2;1-4H,11H2;1-4H,(H,9,10);1-5H,(H,8,9)
• InChIKey: KHVSPNAWTMTHLL-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 207.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1222.85
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine (CID 159138890) is 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncccc12.CCc1c[nH]c2ncccc12.CCc1cn(P)c2ncccc12.N#Cc1cn(P)c2ncccc12.NCc1cn(P)c2ncccc12.Pn1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1.

What is the InChIKey of 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is KHVSPNAWTMTHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2P.C9H10N2.C8H10N3P.C8H6N3P.C7H6BrN2P.C7H5BrN2.C7H6N2/c1-2-7-6-11(12)9-8(7)4-3-5-10-9;1-2-7-6-11-9-8(7)4-3-5-10-9;2*9-4-6-5-11(12)8-7(6)2-1-3-10-8;8-6-4-10(11)7-5(6)2-1-3-9-7;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1/h3-6H,2,12H2,1H3;3-6H,2H2,1H3,(H,10,11);1-3,5H,4,9,12H2;1-3,5H,12H2;1-4H,11H2;1-4H,(H,9,10);1-5H,(H,8,9).

What are the key properties of 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine?

3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1222.85 g/mol, XLogP of 13.37, 3 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1H-pyrrolo[2,3-b]pyridine;(3-bromopyrrolo[2,3-b]pyridin-1-yl)phosphane;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-3-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159138890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).