6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride

C52H44Cl5N8O8P — CID 161442041

About 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride

6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride (PubChem CID 161442041) has the molecular formula C52H44Cl5N8O8P and a molecular weight of 1117.21 g/mol. Its IUPAC name is 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride.

Molecular Properties

• Compound Name: 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride
• PubChem CID: 161442041
• Molecular Formula: C52H44Cl5N8O8P
• Molecular Weight: 1117.21 g/mol
• Exact Mass: 1114.15
• IUPAC Name: 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride
• SMILES: Cc1cc(N)nc(Cl)c1C.Cc1cc(N2C(=O)c3ccccc3C2=O)[n+]([O-])cc1C.Cc1cc(N2C(=O)c3ccccc3C2=O)nc(Cl)c1C.Cc1cnc(N2C(=O)c3ccccc3C2=O)cc1C.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C15H11ClN2O2.C15H12N2O3.C15H12N2O2.C7H9ClN2.Cl3OP/c1-8-7-12(17-13(16)9(8)2)18-14(19)10-5-3-4-6-11(10)15(18)20;1-9-7-13(16(20)8-10(9)2)17-14(18)11-5-3-4-6-12(11)15(17)19;1-9-7-13(16-8-10(9)2)17-14(18)11-5-3-4-6-12(11)15(17)19;1-4-3-6(9)10-7(8)5(4)2;1-5(2,3)4/h3-7H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3H,1-2H3,(H2,9,10)
• InChIKey: VZKAWYNZFCPDMS-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 220.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1117.21
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride?

The IUPAC name of 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride (CID 161442041) is 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride.

What is the SMILES notation for 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride?

The canonical SMILES for 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride is Cc1cc(N)nc(Cl)c1C.Cc1cc(N2C(=O)c3ccccc3C2=O)[n+]([O-])cc1C.Cc1cc(N2C(=O)c3ccccc3C2=O)nc(Cl)c1C.Cc1cnc(N2C(=O)c3ccccc3C2=O)cc1C.O=P(Cl)(Cl)Cl.

What is the InChIKey of 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride?

The InChIKey is VZKAWYNZFCPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2.C15H12N2O3.C15H12N2O2.C7H9ClN2.Cl3OP/c1-8-7-12(17-13(16)9(8)2)18-14(19)10-5-3-4-6-11(10)15(18)20;1-9-7-13(16(20)8-10(9)2)17-14(18)11-5-3-4-6-12(11)15(17)19;1-9-7-13(16-8-10(9)2)17-14(18)11-5-3-4-6-12(11)15(17)19;1-4-3-6(9)10-7(8)5(4)2;1-5(2,3)4/h3-7H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3H,1-2H3,(H2,9,10);.

What are the key properties of 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride?

6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride has a molecular weight of 1117.21 g/mol, XLogP of 12.13, 3 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride is sourced from PubChem (CID 161442041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).