2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

C69H46BCl3F9N21O5 — CID 161393618

About 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine

2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 161393618) has the molecular formula C69H46BCl3F9N21O5 and a molecular weight of 1537.42 g/mol. Its IUPAC name is 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• PubChem CID: 161393618
• Molecular Formula: C69H46BCl3F9N21O5
• Molecular Weight: 1537.42 g/mol
• Exact Mass: 1535.30
• IUPAC Name: 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine
• SMILES: Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1ccnc(Cl)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccnc(-c2ccccc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccnc(Cl)c1.OB(O)c1ccccc1
• InChI: InChI=1S/C25H16F3N7O.C19H11ClF3N7O.C13H9F3N6.C6H7BO2.C6H3Cl2NO/c26-25(27,28)21-14-20(18-7-4-11-29-15-18)34-35(21)23-9-8-22(32-33-23)31-24(36)17-10-12-30-19(13-17)16-5-2-1-3-6-16;20-15-8-11(5-7-25-15)18(31)26-16-3-4-17(28-27-16)30-14(19(21,22)23)9-13(29-30)12-2-1-6-24-10-12;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;8-7(9)6-4-2-1-3-5-6;7-5-3-4(6(8)10)1-2-9-5/h1-15H,(H,31,32,36);1-10H,(H,26,27,31);1-7H,(H2,17,19);1-5,8-9H;1-3H
• InChIKey: VTHSPDHQJCXYBG-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 349.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.42
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The IUPAC name of 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine (CID 161393618) is 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine.

What is the SMILES notation for 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The canonical SMILES for 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1.O=C(Cl)c1ccnc(Cl)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccnc(-c2ccccc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccnc(Cl)c1.OB(O)c1ccccc1.

What is the InChIKey of 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

The InChIKey is VTHSPDHQJCXYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O.C19H11ClF3N7O.C13H9F3N6.C6H7BO2.C6H3Cl2NO/c26-25(27,28)21-14-20(18-7-4-11-29-15-18)34-35(21)23-9-8-22(32-33-23)31-24(36)17-10-12-30-19(13-17)16-5-2-1-3-6-16;20-15-8-11(5-7-25-15)18(31)26-16-3-4-17(28-27-16)30-14(19(21,22)23)9-13(29-30)12-2-1-6-24-10-12;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;8-7(9)6-4-2-1-3-5-6;7-5-3-4(6(8)10)1-2-9-5/h1-15H,(H,31,32,36);1-10H,(H,26,27,31);1-7H,(H2,17,19);1-5,8-9H;1-3H.

What are the key properties of 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine?

2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 1537.42 g/mol, XLogP of 12.91, 13 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyridine-4-carbonyl chloride;2-chloro-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;phenylboronic acid;2-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-4-carboxamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 161393618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).