5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C88H61BBrClF11N17O10 — CID 162136702

About 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 162136702) has the molecular formula C88H61BBrClF11N17O10 and a molecular weight of 1851.71 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• PubChem CID: 162136702
• Molecular Formula: C88H61BBrClF11N17O10
• Molecular Weight: 1851.71 g/mol
• Exact Mass: 1849.36
• IUPAC Name: 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• SMILES: COC(=O)c1cccc(-c2ccc(F)nc2)c1.COC(=O)c1cccc(B(O)O)c1.Fc1ccc(Br)cn1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(O)c1cccc(-c2ccc(F)nc2)c1
• InChI: InChI=1S/C25H15F4N7O.C13H9F3N6.C13H10FNO2.C12H7ClFNO.C12H8FNO2.C8H9BO4.C5H3BrFN/c26-21-7-6-17(14-31-21)15-3-1-4-16(11-15)24(37)32-22-8-9-23(34-33-22)36-20(25(27,28)29)12-19(35-36)18-5-2-10-30-13-18;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-17-13(16)10-4-2-3-9(7-10)11-5-6-12(14)15-8-11;13-12(16)9-3-1-2-8(6-9)10-4-5-11(14)15-7-10;13-11-5-4-10(7-14-11)8-2-1-3-9(6-8)12(15)16;1-13-8(10)6-3-2-4-7(5-6)9(11)12;6-4-1-2-5(7)8-3-4/h1-14H,(H,32,33,37);1-7H,(H2,17,19);2-8H,1H3;1-7H;1-7H,(H,15,16);2-5,11-12H,1H3;1-3H
• InChIKey: ZJJQIIYNDJITGK-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 379.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.71
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The IUPAC name of 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 162136702) is 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

What is the SMILES notation for 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The canonical SMILES for 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is COC(=O)c1cccc(-c2ccc(F)nc2)c1.COC(=O)c1cccc(B(O)O)c1.Fc1ccc(Br)cn1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(O)c1cccc(-c2ccc(F)nc2)c1.

What is the InChIKey of 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The InChIKey is ZJJQIIYNDJITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F4N7O.C13H9F3N6.C13H10FNO2.C12H7ClFNO.C12H8FNO2.C8H9BO4.C5H3BrFN/c26-21-7-6-17(14-31-21)15-3-1-4-16(11-15)24(37)32-22-8-9-23(34-33-22)36-20(25(27,28)29)12-19(35-36)18-5-2-10-30-13-18;14-13(15,16)10-6-9(8-2-1-5-18-7-8)21-22(10)12-4-3-11(17)19-20-12;1-17-13(16)10-4-2-3-9(7-10)11-5-6-12(14)15-8-11;13-12(16)9-3-1-2-8(6-9)10-4-5-11(14)15-7-10;13-11-5-4-10(7-14-11)8-2-1-3-9(6-8)12(15)16;1-13-8(10)6-3-2-4-7(5-6)9(11)12;6-4-1-2-5(7)8-3-4/h1-14H,(H,32,33,37);1-7H,(H2,17,19);2-8H,1H3;1-7H;1-7H,(H,15,16);2-5,11-12H,1H3;1-3H.

What are the key properties of 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1851.71 g/mol, XLogP of 17.18, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyridine;3-(6-fluoro-3-pyridinyl)benzoic acid;3-(6-fluoro-3-pyridinyl)benzoyl chloride;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-(6-fluoro-3-pyridinyl)benzoate;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 162136702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).