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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid

C52H65Cl2N13O2P4 — CID 159899208

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid (PubChem CID 159899208) has the molecular formula C52H65Cl2N13O2P4 and a molecular weight of 1098.98 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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid.

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid
• PubChem CID: 159899208
• Molecular Formula: C52H65Cl2N13O2P4
• Molecular Weight: 1098.98 g/mol
• Exact Mass: 1097.37
• 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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid
• SMILES: C.C.C.C.C.C.Cc1ccnc2[nH]ccc12.Cc1ccnc2c1ccn2P.Clc1ccnc2[nH]ccc12.N#Cc1ccnc2c1ccn2P.O=C(O)c1ccnc2c1ccn2P.Pn1ccc2c(Cl)ccnc21
• InChI: InChI=1S/C8H6N3P.C8H7N2O2P.C8H9N2P.C8H8N2.C7H6ClN2P.C7H5ClN2.6CH4/c9-5-6-1-3-10-8-7(6)2-4-11(8)12;11-8(12)6-1-3-9-7-5(6)2-4-10(7)13;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,12H2;1-4H,13H2,(H,11,12);2-5H,11H2,1H3;2-5H,1H3,(H,9,10);1-4H,11H2;1-4H,(H,9,10);6*1H4
• InChIKey: NVSVJGCLJCNEEB-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 189.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 1
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1098.98
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid?

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid (CID 159899208) 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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid.

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid?

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid is C.C.C.C.C.C.Cc1ccnc2[nH]ccc12.Cc1ccnc2c1ccn2P.Clc1ccnc2[nH]ccc12.N#Cc1ccnc2c1ccn2P.O=C(O)c1ccnc2c1ccn2P.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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid?

The InChIKey is NVSVJGCLJCNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N3P.C8H7N2O2P.C8H9N2P.C8H8N2.C7H6ClN2P.C7H5ClN2.6CH4/c9-5-6-1-3-10-8-7(6)2-4-11(8)12;11-8(12)6-1-3-9-7-5(6)2-4-10(7)13;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,12H2;1-4H,13H2,(H,11,12);2-5H,11H2,1H3;2-5H,1H3,(H,9,10);1-4H,11H2;1-4H,(H,9,10);6*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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid?

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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 1098.98 g/mol, XLogP of 15.13, 1 rotatable bonds, 3 hydrogen bond donors, and 12 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;(4-methylpyrrolo[2,3-b]pyridin-1-yl)phosphane;1-phosphanylpyrrolo[2,3-b]pyridine-4-carbonitrile;1-phosphanylpyrrolo[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 159899208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).