6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid

C79H54Cl2F12N22O15 — CID 167707860

About 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid

6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid (PubChem CID 167707860) has the molecular formula C79H54Cl2F12N22O15 and a molecular weight of 1850.32 g/mol. Its IUPAC name is 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid
• PubChem CID: 167707860
• Molecular Formula: C79H54Cl2F12N22O15
• Molecular Weight: 1850.32 g/mol
• Exact Mass: 1848.33
• IUPAC Name: 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid
• SMILES: CC(=O)c1ccc(Cl)nn1.COC(=O)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.O=C(NO)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.O=C(NOCc1ccccc1)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.O=C(O)c1ccc(Cl)nn1.O=C(O)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1
• InChI: InChI=1S/C22H16F3N5O3.C16H11F3N4O3.C15H10F3N5O3.C15H9F3N4O3.C6H5ClN2O.C5H3ClN2O2/c23-22(24,25)16-8-6-15(7-9-16)18-13-32-21(26-18)27-19-11-10-17(28-29-19)20(31)30-33-12-14-4-2-1-3-5-14;1-25-14(24)11-6-7-13(23-22-11)21-15-20-12(8-26-15)9-2-4-10(5-3-9)16(17,18)19;16-15(17,18)9-3-1-8(2-4-9)11-7-26-14(19-11)20-12-6-5-10(21-22-12)13(24)23-25;16-15(17,18)9-3-1-8(2-4-9)11-7-25-14(19-11)20-12-6-5-10(13(23)24)21-22-12;1-4(10)5-2-3-6(7)9-8-5;6-4-2-1-3(5(9)10)7-8-4/h1-11,13H,12H2,(H,30,31)(H,26,27,29);2-8H,1H3,(H,20,21,23);1-7,25H,(H,23,24)(H,19,20,22);1-7H,(H,23,24)(H,19,20,22);2-3H,1H3;1-2H,(H,9,10)
• InChIKey: ZJKPAYLAZYCZLJ-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 512.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1850.32
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid?

The IUPAC name of 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid (CID 167707860) is 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid.

What is the SMILES notation for 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid?

The canonical SMILES for 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid is CC(=O)c1ccc(Cl)nn1.COC(=O)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.O=C(NO)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.O=C(NOCc1ccccc1)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.O=C(O)c1ccc(Cl)nn1.O=C(O)c1ccc(Nc2nc(-c3ccc(C(F)(F)F)cc3)co2)nn1.

What is the InChIKey of 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid?

The InChIKey is ZJKPAYLAZYCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3.C16H11F3N4O3.C15H10F3N5O3.C15H9F3N4O3.C6H5ClN2O.C5H3ClN2O2/c23-22(24,25)16-8-6-15(7-9-16)18-13-32-21(26-18)27-19-11-10-17(28-29-19)20(31)30-33-12-14-4-2-1-3-5-14;1-25-14(24)11-6-7-13(23-22-11)21-15-20-12(8-26-15)9-2-4-10(5-3-9)16(17,18)19;16-15(17,18)9-3-1-8(2-4-9)11-7-26-14(19-11)20-12-6-5-10(21-22-12)13(24)23-25;16-15(17,18)9-3-1-8(2-4-9)11-7-25-14(19-11)20-12-6-5-10(13(23)24)21-22-12;1-4(10)5-2-3-6(7)9-8-5;6-4-2-1-3(5(9)10)7-8-4/h1-11,13H,12H2,(H,30,31)(H,26,27,29);2-8H,1H3,(H,20,21,23);1-7,25H,(H,23,24)(H,19,20,22);1-7H,(H,23,24)(H,19,20,22);2-3H,1H3;1-2H,(H,9,10).

What are the key properties of 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid?

6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid has a molecular weight of 1850.32 g/mol, XLogP of 17.20, 21 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridazine-3-carboxylic acid;1-(6-chloropyridazin-3-yl)ethanone;N-hydroxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;methyl 6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylate;N-phenylmethoxy-6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide;6-[[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 167707860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).