potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol

C30H23F3K3N4O10P — CID 157079017

About potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol

potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol (PubChem CID 157079017) has the molecular formula C30H23F3K3N4O10P and a molecular weight of 804.79 g/mol. Its IUPAC name is potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol.

Molecular Properties

• Compound Name: potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol
• PubChem CID: 157079017
• Molecular Formula: C30H23F3K3N4O10P
• Molecular Weight: 804.79 g/mol
• Exact Mass: 804.00
• IUPAC Name: potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol
• SMILES: COC(=O)c1ccc(F)cc1F.COC(=O)c1ccc(F)cc1Oc1cnc2[nH]ccc2c1.O=[P+]([O-])O[O-].Oc1cnc2[nH]ccc2c1.[K+].[K][K]
• InChI: InChI=1S/C15H11FN2O3.C8H6F2O2.C7H6N2O.3K.HO4P/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11;1-12-8(11)6-3-2-5(9)4-7(6)10;10-6-3-5-1-2-8-7(5)9-4-6;;;;1-4-5(2)3/h2-8H,1H3,(H,17,18);2-4H,1H3;1-4,10H,(H,8,9);;;;1H/q;;;;;+1;/p-1
• InChIKey: ADHQERPNIZCDRT-UHFFFAOYSA-M
• XLogP: 0.84
• TPSA: 211.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.79
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol?

The IUPAC name of potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol (CID 157079017) is potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol.

What is the SMILES notation for potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol?

The canonical SMILES for potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol is COC(=O)c1ccc(F)cc1F.COC(=O)c1ccc(F)cc1Oc1cnc2[nH]ccc2c1.O=[P+]([O-])O[O-].Oc1cnc2[nH]ccc2c1.[K+].[K][K].

What is the InChIKey of potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol?

The InChIKey is ADHQERPNIZCDRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11FN2O3.C8H6F2O2.C7H6N2O.3K.HO4P/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11;1-12-8(11)6-3-2-5(9)4-7(6)10;10-6-3-5-1-2-8-7(5)9-4-6;;;;1-4-5(2)3/h2-8H,1H3,(H,17,18);2-4H,1H3;1-4,10H,(H,8,9);;;;1H/q;;;;;+1;/p-1.

What are the key properties of potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol?

potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol has a molecular weight of 804.79 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;methyl 2,4-difluorobenzoate;methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate;oxido-oxidooxy-oxophosphanium;potassiopotassium;1H-pyrrolo[2,3-b]pyridin-5-ol is sourced from PubChem (CID 157079017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).