dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate

C82H76BClF2K2N6O16S — CID 157208888

About dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate

dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate (PubChem CID 157208888) has the molecular formula C82H76BClF2K2N6O16S and a molecular weight of 1596.06 g/mol. Its IUPAC name is dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate.

Molecular Properties

• Compound Name: dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate
• PubChem CID: 157208888
• Molecular Formula: C82H76BClF2K2N6O16S
• Molecular Weight: 1596.06 g/mol
• Exact Mass: 1594.41
• IUPAC Name: dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate
• SMILES: C.CC1(C)OB(c2ccc(F)c(C#N)c2)OC1(C)C.CC1CCCO1.CCOC(=O)c1ccc(-c2cc3nccc(-c4ccc(F)c(C#N)c4)c3o2)cc1.CCOC(=O)c1ccc(-c2cc3nccc(Cl)c3o2)cc1.COc1ccc(-c2ccnc3cc(-c4ccc(C(=O)O)cc4)oc23)cc1C#N.CS.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H15FN2O3.C22H14N2O4.C16H12ClNO3.C13H15BFNO2.C5H10O.CH2O3.CH4S.CH4.2K.H/c1-2-28-23(27)15-5-3-14(4-6-15)21-12-20-22(29-21)18(9-10-26-20)16-7-8-19(24)17(11-16)13-25;1-27-19-7-6-15(10-16(19)12-23)17-8-9-24-18-11-20(28-21(17)18)13-2-4-14(5-3-13)22(25)26;1-2-20-16(19)11-5-3-10(4-6-11)14-9-13-15(21-14)12(17)7-8-18-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16;1-5-3-2-4-6-5;2-1-4-3;1-2;;;;/h3-12H,2H2,1H3;2-11H,1H3,(H,25,26);3-9H,2H2,1H3;5-7H,1-4H3;5H,2-4H2,1H3;1,3H;2H,1H3;1H4;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: KAWQEDMLCCLDRS-UHFFFAOYSA-M
• XLogP: 11.33
• TPSA: 325.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.06
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate?

The IUPAC name of dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate (CID 157208888) is dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate.

What is the SMILES notation for dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate?

The canonical SMILES for dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate is C.CC1(C)OB(c2ccc(F)c(C#N)c2)OC1(C)C.CC1CCCO1.CCOC(=O)c1ccc(-c2cc3nccc(-c4ccc(F)c(C#N)c4)c3o2)cc1.CCOC(=O)c1ccc(-c2cc3nccc(Cl)c3o2)cc1.COc1ccc(-c2ccnc3cc(-c4ccc(C(=O)O)cc4)oc23)cc1C#N.CS.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate?

The InChIKey is KAWQEDMLCCLDRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15FN2O3.C22H14N2O4.C16H12ClNO3.C13H15BFNO2.C5H10O.CH2O3.CH4S.CH4.2K.H/c1-2-28-23(27)15-5-3-14(4-6-15)21-12-20-22(29-21)18(9-10-26-20)16-7-8-19(24)17(11-16)13-25;1-27-19-7-6-15(10-16(19)12-23)17-8-9-24-18-11-20(28-21(17)18)13-2-4-14(5-3-13)22(25)26;1-2-20-16(19)11-5-3-10(4-6-11)14-9-13-15(21-14)12(17)7-8-18-13;1-12(2)13(3,4)18-14(17-12)10-5-6-11(15)9(7-10)8-16;1-5-3-2-4-6-5;2-1-4-3;1-2;;;;/h3-12H,2H2,1H3;2-11H,1H3,(H,25,26);3-9H,2H2,1H3;5-7H,1-4H3;5H,2-4H2,1H3;1,3H;2H,1H3;1H4;;;/q;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate?

dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate has a molecular weight of 1596.06 g/mol, XLogP of 11.33, 13 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[7-(3-cyano-4-methoxyphenyl)furo[3,2-b]pyridin-2-yl]benzoic acid;ethyl 4-(7-chlorofuro[3,2-b]pyridin-2-yl)benzoate;ethyl 4-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]benzoate;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;hydride;methane;methanethiol;2-methyloxolane;oxido formate is sourced from PubChem (CID 157208888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).