5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine

C47H47Cl5F4N12O10 — CID 157232910

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine (PubChem CID 157232910) has the molecular formula C47H47Cl5F4N12O10 and a molecular weight of 1193.22 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine
• PubChem CID: 157232910
• Molecular Formula: C47H47Cl5F4N12O10
• Molecular Weight: 1193.22 g/mol
• Exact Mass: 1190.19
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine
• SMILES: CN1CCOCC1.COc1nc(Cl)nc(OC)n1.Cc1cc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n(C)n1.Cc1cc(C(=O)O)n(C)n1.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C18H13ClF2N4O3.C12H7ClF2N2O2.C6H8N2O2.C5H6ClN3O2.C5H11NO.CH2Cl2/c1-9-5-13(25(2)24-9)17(26)23-16-4-3-10(8-22-16)11-6-14-15(7-12(11)19)28-18(20,21)27-14;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-4-3-5(6(9)10)8(2)7-4;1-10-4-7-3(6)8-5(9-4)11-2;1-6-2-4-7-5-3-6;2-1-3/h3-8H,1-2H3,(H,22,23,26);1-5H,(H2,16,17);3H,1-2H3,(H,9,10);1-2H3;2-5H2,1H3;1H2
• InChIKey: AUHPLZKJCYWLOJ-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 260.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1193.22
LogP ≤ 5	9.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine (CID 157232910) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine is CN1CCOCC1.COc1nc(Cl)nc(OC)n1.Cc1cc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n(C)n1.Cc1cc(C(=O)O)n(C)n1.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

The InChIKey is AUHPLZKJCYWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O3.C12H7ClF2N2O2.C6H8N2O2.C5H6ClN3O2.C5H11NO.CH2Cl2/c1-9-5-13(25(2)24-9)17(26)23-16-4-3-10(8-22-16)11-6-14-15(7-12(11)19)28-18(20,21)27-14;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-4-3-5(6(9)10)8(2)7-4;1-10-4-7-3(6)8-5(9-4)11-2;1-6-2-4-7-5-3-6;2-1-3/h3-8H,1-2H3,(H,22,23,26);1-5H,(H2,16,17);3H,1-2H3,(H,9,10);1-2H3;2-5H2,1H3;1H2.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine has a molecular weight of 1193.22 g/mol, XLogP of 9.66, 7 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;2,5-dimethylpyrazole-3-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 157232910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).