5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid

C65H42BBr2ClF9N25O5 — CID 159615337

About 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid

5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid (PubChem CID 159615337) has the molecular formula C65H42BBr2ClF9N25O5 and a molecular weight of 1630.28 g/mol. Its IUPAC name is 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid.

Molecular Properties

• Compound Name: 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid
• PubChem CID: 159615337
• Molecular Formula: C65H42BBr2ClF9N25O5
• Molecular Weight: 1630.28 g/mol
• Exact Mass: 1627.18
• IUPAC Name: 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid
• SMILES: Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1cncc(Br)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cncc(-c2cncnc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cncc(Br)c1.OB(O)c1cncnc1
• InChI: InChI=1S/C23H14F3N9O.C19H11BrF3N7O.C13H9F3N6.C6H3BrClNO.C4H5BN2O2/c24-23(25,26)19-7-18(14-2-1-5-27-8-14)34-35(19)21-4-3-20(32-33-21)31-22(36)16-6-15(9-28-10-16)17-11-29-13-30-12-17;20-13-6-12(9-25-10-13)18(31)26-16-3-4-17(28-27-16)30-15(19(21,22)23)7-14(29-30)11-2-1-5-24-8-11;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;7-5-1-4(6(8)10)2-9-3-5;8-5(9)4-1-6-3-7-2-4/h1-13H,(H,31,32,36);1-10H,(H,26,27,31);1-7H,(H2,17,19);1-3H;1-3,8-9H
• InChIKey: MNFDNLDPPGCPEZ-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 401.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1630.28
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid?

The IUPAC name of 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid (CID 159615337) is 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid.

What is the SMILES notation for 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid?

The canonical SMILES for 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid is Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1cncc(Br)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cncc(-c2cncnc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cncc(Br)c1.OB(O)c1cncnc1.

What is the InChIKey of 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid?

The InChIKey is MNFDNLDPPGCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N9O.C19H11BrF3N7O.C13H9F3N6.C6H3BrClNO.C4H5BN2O2/c24-23(25,26)19-7-18(14-2-1-5-27-8-14)34-35(19)21-4-3-20(32-33-21)31-22(36)16-6-15(9-28-10-16)17-11-29-13-30-12-17;20-13-6-12(9-25-10-13)18(31)26-16-3-4-17(28-27-16)30-15(19(21,22)23)7-14(29-30)11-2-1-5-24-8-11;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;7-5-1-4(6(8)10)2-9-3-5;8-5(9)4-1-6-3-7-2-4/h1-13H,(H,31,32,36);1-10H,(H,26,27,31);1-7H,(H2,17,19);1-3H;1-3,8-9H.

What are the key properties of 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid?

5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid has a molecular weight of 1630.28 g/mol, XLogP of 10.71, 13 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridine-3-carbonyl chloride;5-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;pyrimidin-5-ylboronic acid is sourced from PubChem (CID 159615337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).