4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine

C61H81Cl2N16P5 — CID 157437507

About 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine

4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine (PubChem CID 157437507) has the molecular formula C61H81Cl2N16P5 and a molecular weight of 1264.21 g/mol. Its IUPAC name is 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine.

Molecular Properties

• Compound Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine
• PubChem CID: 157437507
• Molecular Formula: C61H81Cl2N16P5
• Molecular Weight: 1264.21 g/mol
• Exact Mass: 1262.49
• IUPAC Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine
• SMILES: C.C.C.C.C.C.C.Cc1ccnc2[nH]ccc12.Cc1ccnc2c1ccn2P.Cc1ccnc2c1ccn2P.Clc1ccnc2[nH]ccc12.N#Cc1ccnc2c1ccn2P.NCc1ccnc2c1ccn2P.Pn1ccc2c(Cl)ccnc21
• InChI: InChI=1S/C8H10N3P.C8H6N3P.2C8H9N2P.C8H8N2.C7H6ClN2P.C7H5ClN2.7CH4/c2*9-5-6-1-3-10-8-7(6)2-4-11(8)12;2*1-6-2-4-9-8-7(6)3-5-10(8)11;1-6-2-4-9-8-7(6)3-5-10-8;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;;;;;;;/h1-4H,5,9,12H2;1-4H,12H2;2*2-5H,11H2,1H3;2-5H,1H3,(H,9,10);1-4H,11H2;1-4H,(H,9,10);7*1H4
• InChIKey: BRGXYHXJUJUNKW-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 196.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1264.21
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine?

The IUPAC name of 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine (CID 157437507) is 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine.

What is the SMILES notation for 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine?

The canonical SMILES for 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine is C.C.C.C.C.C.C.Cc1ccnc2[nH]ccc12.Cc1ccnc2c1ccn2P.Cc1ccnc2c1ccn2P.Clc1ccnc2[nH]ccc12.N#Cc1ccnc2c1ccn2P.NCc1ccnc2c1ccn2P.Pn1ccc2c(Cl)ccnc21.

What is the InChIKey of 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine?

The InChIKey is BRGXYHXJUJUNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3P.C8H6N3P.2C8H9N2P.C8H8N2.C7H6ClN2P.C7H5ClN2.7CH4/c2*9-5-6-1-3-10-8-7(6)2-4-11(8)12;2*1-6-2-4-9-8-7(6)3-5-10(8)11;1-6-2-4-9-8-7(6)3-5-10-8;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;;;;;;;/h1-4H,5,9,12H2;1-4H,12H2;2*2-5H,11H2,1H3;2-5H,1H3,(H,9,10);1-4H,11H2;1-4H,(H,9,10);7*1H4.

What are the key properties of 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine?

4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine has a molecular weight of 1264.21 g/mol, XLogP of 17.51, 1 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1H-pyrrolo[2,3-b]pyridine;(4-chloropyrrolo[2,3-b]pyridin-1-yl)phosphane;methane;4-methyl-1H-pyrrolo[2,3-b]pyridine;bis((4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane);1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;(1-phosphanylpyrrolo[2,3-b]pyridin-4-yl)methanamine is sourced from PubChem (CID 157437507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).