6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid

C75H81BBr2F7N13O11 — CID 157430318

About 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid

6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid (PubChem CID 157430318) has the molecular formula C75H81BBr2F7N13O11 and a molecular weight of 1644.16 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid
• PubChem CID: 157430318
• Molecular Formula: C75H81BBr2F7N13O11
• Molecular Weight: 1644.16 g/mol
• Exact Mass: 1641.45
• IUPAC Name: 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)CC1COCc2c(Br)cncc21.Cn1ncc2c(F)cc(-c3cncc4c3COCC4N)cc21.Cn1ncc2c(F)cc(-c3cncc4c3COCC4NC(=O)OC(C)(C)C)cc21.Cn1ncc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2c(F)cc(Br)cc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H23FN4O3.C16H15FN4O.C14H18BFN2O2.C14H18BrNO3.C8H6BrFN2.C2HF3O2/c1-21(2,3)29-20(27)25-18-11-28-10-16-13(7-23-8-14(16)18)12-5-17(22)15-9-24-26(4)19(15)6-12;1-21-16-3-9(2-14(17)12(16)6-20-21)10-4-19-5-11-13(10)7-22-8-15(11)18;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-17-18(5)12(10)7-9;1-14(2,3)19-13(17)4-9-7-18-8-11-10(9)5-16-6-12(11)15;1-12-8-3-5(9)2-7(10)6(8)4-11-12;3-2(4,5)1(6)7/h5-9,18H,10-11H2,1-4H3,(H,25,27);2-6,15H,7-8,18H2,1H3;6-8H,1-5H3;5-6,9H,4,7-8H2,1-3H3;2-4H,1H3;(H,6,7)
• InChIKey: OLOSIKNIJUHQRS-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 284.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1644.16
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	3
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 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid (CID 157430318) is 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)CC1COCc2c(Br)cncc21.Cn1ncc2c(F)cc(-c3cncc4c3COCC4N)cc21.Cn1ncc2c(F)cc(-c3cncc4c3COCC4NC(=O)OC(C)(C)C)cc21.Cn1ncc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2c(F)cc(Br)cc21.O=C(O)C(F)(F)F.

What is the InChIKey of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid?

The InChIKey is OLOSIKNIJUHQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3.C16H15FN4O.C14H18BFN2O2.C14H18BrNO3.C8H6BrFN2.C2HF3O2/c1-21(2,3)29-20(27)25-18-11-28-10-16-13(7-23-8-14(16)18)12-5-17(22)15-9-24-26(4)19(15)6-12;1-21-16-3-9(2-14(17)12(16)6-20-21)10-4-19-5-11-13(10)7-22-8-15(11)18;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-17-18(5)12(10)7-9;1-14(2,3)19-13(17)4-9-7-18-8-11-10(9)5-16-6-12(11)15;1-12-8-3-5(9)2-7(10)6(8)4-11-12;3-2(4,5)1(6)7/h5-9,18H,10-11H2,1-4H3,(H,25,27);2-6,15H,7-8,18H2,1H3;6-8H,1-5H3;5-6,9H,4,7-8H2,1-3H3;2-4H,1H3;(H,6,7).

What are the key properties of 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid?

6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid has a molecular weight of 1644.16 g/mol, XLogP of 14.48, 6 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-fluoro-1-methylindazole;tert-butyl 2-(8-bromo-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl)acetate;tert-butyl N-[8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]carbamate;8-(4-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157430318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).