[3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine

C62H74ClN20P5 — CID 157198600

About [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine

[3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 157198600) has the molecular formula C62H74ClN20P5 and a molecular weight of 1289.74 g/mol. Its IUPAC name is [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

• Compound Name: [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine
• PubChem CID: 157198600
• Molecular Formula: C62H74ClN20P5
• Molecular Weight: 1289.74 g/mol
• Exact Mass: 1288.48
• IUPAC Name: [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine
• SMILES: CCc1c[nH]c2ncccc12.CCc1cn(P)c2ncccc12.CN(C)Cc1c[nH]c2ncccc12.CN(C)Cc1cn(P)c2ncccc12.NCc1cn(P)c2ncccc12.Pn1cc(CCl)c2cccnc21.[N-]=[N+]=NCc1cn(P)c2ncccc12
• InChI: InChI=1S/C10H14N3P.C10H13N3.C9H11N2P.C9H10N2.C8H8ClN2P.C8H8N5P.C8H10N3P/c1-12(2)6-8-7-13(14)10-9(8)4-3-5-11-10;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-2-7-6-11(12)9-8(7)4-3-5-10-9;1-2-7-6-11-9-8(7)4-3-5-10-9;9-4-6-5-11(12)8-7(6)2-1-3-10-8;9-12-11-4-6-5-13(14)8-7(6)2-1-3-10-8;9-4-6-5-11(12)8-7(6)2-1-3-10-8/h3-5,7H,6,14H2,1-2H3;3-6H,7H2,1-2H3,(H,11,12);3-6H,2,12H2,1H3;3-6H,2H2,1H3,(H,10,11);1-3,5H,4,12H2;1-3,5H,4,14H2;1-3,5H,4,9,12H2
• InChIKey: AQNPCDPAZBICDM-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 227.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.74
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine (CID 157198600) is [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine.

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

The canonical SMILES for [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine is CCc1c[nH]c2ncccc12.CCc1cn(P)c2ncccc12.CN(C)Cc1c[nH]c2ncccc12.CN(C)Cc1cn(P)c2ncccc12.NCc1cn(P)c2ncccc12.Pn1cc(CCl)c2cccnc21.[N-]=[N+]=NCc1cn(P)c2ncccc12.

What is the InChIKey of [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine?

The InChIKey is AQNPCDPAZBICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3P.C10H13N3.C9H11N2P.C9H10N2.C8H8ClN2P.C8H8N5P.C8H10N3P/c1-12(2)6-8-7-13(14)10-9(8)4-3-5-11-10;1-13(2)7-8-6-12-10-9(8)4-3-5-11-10;1-2-7-6-11(12)9-8(7)4-3-5-10-9;1-2-7-6-11-9-8(7)4-3-5-10-9;9-4-6-5-11(12)8-7(6)2-1-3-10-8;9-12-11-4-6-5-13(14)8-7(6)2-1-3-10-8;9-4-6-5-11(12)8-7(6)2-1-3-10-8/h3-5,7H,6,14H2,1-2H3;3-6H,7H2,1-2H3,(H,11,12);3-6H,2,12H2,1H3;3-6H,2H2,1H3,(H,10,11);1-3,5H,4,12H2;1-3,5H,4,14H2;1-3,5H,4,9,12H2.

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

[3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 1289.74 g/mol, XLogP of 13.75, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(azidomethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]phosphane;N,N-dimethyl-1-(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;3-ethyl-1H-pyrrolo[2,3-b]pyridine;(3-ethylpyrrolo[2,3-b]pyridin-1-yl)phosphane;(1-phosphanylpyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 157198600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).