6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile

C44H32BBrF6N10O2 — CID 162035511

About 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile

6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile (PubChem CID 162035511) has the molecular formula C44H32BBrF6N10O2 and a molecular weight of 937.51 g/mol. Its IUPAC name is 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile
• PubChem CID: 162035511
• Molecular Formula: C44H32BBrF6N10O2
• Molecular Weight: 937.51 g/mol
• Exact Mass: 936.19
• IUPAC Name: 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile
• SMILES: CC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.N#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.N#Cc1cccc(Br)n1
• InChI: InChI=1S/C19H19BF3N3O2.C19H10F3N5.C6H3BrN2/c1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15;7-6-3-1-2-5(4-8)9-6/h5-11H,1-4H3;1-9,11H;1-3H
• InChIKey: YWPATBPAMPLWCN-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 153.24 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.51
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile (CID 162035511) is 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile is CC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.N#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.N#Cc1cccc(Br)n1.

What is the InChIKey of 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile?

The InChIKey is YWPATBPAMPLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BF3N3O2.C19H10F3N5.C6H3BrN2/c1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15;7-6-3-1-2-5(4-8)9-6/h5-11H,1-4H3;1-9,11H;1-3H.

What are the key properties of 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile?

6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile has a molecular weight of 937.51 g/mol, XLogP of 9.83, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 162035511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).