4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine

C70H70Cl5N13O6 — CID 164956031

About 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine

4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine (PubChem CID 164956031) has the molecular formula C70H70Cl5N13O6 and a molecular weight of 1366.68 g/mol. Its IUPAC name is 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine.

Molecular Properties

• Compound Name: 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
• PubChem CID: 164956031
• Molecular Formula: C70H70Cl5N13O6
• Molecular Weight: 1366.68 g/mol
• Exact Mass: 1363.40
• IUPAC Name: 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine
• SMILES: Clc1ccc(-c2nnc(CC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(CC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(CC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(CC[C@@H]2CCCO2)c2cnccc12.ON(O)c1ccc(Cl)cc1
• InChI: InChI=1S/2C19H18ClN3O.2C13H14ClN3O.C6H6ClNO2/c20-14-5-3-13(4-6-14)19-16-9-10-21-12-17(16)18(22-23-19)8-7-15-2-1-11-24-15;20-14-5-3-13(4-6-14)19-17-12-21-10-9-16(17)18(22-23-19)8-7-15-2-1-11-24-15;14-13-10-5-6-15-8-11(10)12(16-17-13)4-3-9-2-1-7-18-9;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;7-5-1-3-6(4-2-5)8(9)10/h2*3-6,9-10,12,15H,1-2,7-8,11H2;2*5-6,8-9H,1-4,7H2;1-4,9-10H/t2*15-;2*9-;/m0000./s1
• InChIKey: BEJPAXYQLKFCMT-OKLHRHGSSA-N
• XLogP: 16.42
• TPSA: 235.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1366.68
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?

The IUPAC name of 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine (CID 164956031) is 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine.

What is the SMILES notation for 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?

The canonical SMILES for 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine is Clc1ccc(-c2nnc(CC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(CC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(CC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(CC[C@@H]2CCCO2)c2cnccc12.ON(O)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?

The InChIKey is BEJPAXYQLKFCMT-OKLHRHGSSA-N. The full InChI is InChI=1S/2C19H18ClN3O.2C13H14ClN3O.C6H6ClNO2/c20-14-5-3-13(4-6-14)19-16-9-10-21-12-17(16)18(22-23-19)8-7-15-2-1-11-24-15;20-14-5-3-13(4-6-14)19-17-12-21-10-9-16(17)18(22-23-19)8-7-15-2-1-11-24-15;14-13-10-5-6-15-8-11(10)12(16-17-13)4-3-9-2-1-7-18-9;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;7-5-1-3-6(4-2-5)8(9)10/h2*3-6,9-10,12,15H,1-2,7-8,11H2;2*5-6,8-9H,1-4,7H2;1-4,9-10H/t2*15-;2*9-;/m0000./s1.

What are the key properties of 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine?

4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine has a molecular weight of 1366.68 g/mol, XLogP of 16.42, 15 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N,N-dihydroxyaniline;1-chloro-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine is sourced from PubChem (CID 164956031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).