2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine

C84H80BCl2F2N13O12 — CID 157241096

About 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine

2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 157241096) has the molecular formula C84H80BCl2F2N13O12 and a molecular weight of 1583.36 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine
• PubChem CID: 157241096
• Molecular Formula: C84H80BCl2F2N13O12
• Molecular Weight: 1583.36 g/mol
• Exact Mass: 1581.55
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine
• SMILES: CC1(C)OB(c2ccc(F)c(Cl)c2)OC1(C)C.COc1cc(C(=O)N(C)C)cnc1-c1cc2nccc(-c3ccc(F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)cnc1-c1cc2nccc(Cl)c2o1.Cc1cc(C(=O)N(C)C)cnc1-c1cc2nccc(-c3ccc(NC4C5COCC54)c(C#N)c3)c2o1.NC1C2COCC12
• InChI: InChI=1S/C28H25N5O3.C23H17FN4O3.C16H14ClN3O3.C12H15BClFO2.C5H9NO/c1-15-8-18(28(34)33(2)3)12-31-25(15)24-10-23-27(36-24)19(6-7-30-23)16-4-5-22(17(9-16)11-29)32-26-20-13-35-14-21(20)26;1-28(2)23(29)15-9-19(30-3)21(27-12-15)20-10-18-22(31-20)16(6-7-26-18)13-4-5-17(24)14(8-13)11-25;1-20(2)16(21)9-6-12(22-3)14(19-8-9)13-7-11-15(23-13)10(17)4-5-18-11;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;6-5-3-1-7-2-4(3)5/h4-10,12,20-21,26,32H,13-14H2,1-3H3;4-10,12H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3-5H,1-2,6H2
• InChIKey: AVFMJRDUDZNHBF-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 318.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.36
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine?

The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine (CID 157241096) is 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine.

What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine?

The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine is CC1(C)OB(c2ccc(F)c(Cl)c2)OC1(C)C.COc1cc(C(=O)N(C)C)cnc1-c1cc2nccc(-c3ccc(F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)cnc1-c1cc2nccc(Cl)c2o1.Cc1cc(C(=O)N(C)C)cnc1-c1cc2nccc(-c3ccc(NC4C5COCC54)c(C#N)c3)c2o1.NC1C2COCC12.

What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine?

The InChIKey is AVFMJRDUDZNHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3.C23H17FN4O3.C16H14ClN3O3.C12H15BClFO2.C5H9NO/c1-15-8-18(28(34)33(2)3)12-31-25(15)24-10-23-27(36-24)19(6-7-30-23)16-4-5-22(17(9-16)11-29)32-26-20-13-35-14-21(20)26;1-28(2)23(29)15-9-19(30-3)21(27-12-15)20-10-18-22(31-20)16(6-7-26-18)13-4-5-17(24)14(8-13)11-25;1-20(2)16(21)9-6-12(22-3)14(19-8-9)13-7-11-15(23-13)10(17)4-5-18-11;1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8;6-5-3-1-7-2-4(3)5/h4-10,12,20-21,26,32H,13-14H2,1-3H3;4-10,12H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3-5H,1-2,6H2.

What are the key properties of 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine?

2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 1583.36 g/mol, XLogP of 14.40, 13 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-(7-chlorofuro[3,2-b]pyridin-2-yl)-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-(3-cyano-4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide;6-[7-[3-cyano-4-(3-oxabicyclo[3.1.0]hexan-6-ylamino)phenyl]furo[3,2-b]pyridin-2-yl]-N,N,5-trimethylpyridine-3-carboxamide;3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 157241096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).