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

C45H41Cl7F4N12O10 — CID 159724010

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

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine (PubChem CID 159724010) has the molecular formula C45H41Cl7F4N12O10 and a molecular weight of 1234.06 g/mol. Its IUPAC name is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine.

Molecular Properties

• Compound Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine
• PubChem CID: 159724010
• Molecular Formula: C45H41Cl7F4N12O10
• Molecular Weight: 1234.06 g/mol
• Exact Mass: 1230.08
• IUPAC Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine
• SMILES: CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Cn1cc(Cl)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n1.Cn1cc(Cl)c(C(=O)O)n1.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C17H10Cl2F2N4O3.C12H7ClF2N2O2.C5H6ClN3O2.C5H5ClN2O2.C5H11NO.CH2Cl2/c1-25-7-11(19)15(24-25)16(26)23-14-3-2-8(6-22-14)9-4-12-13(5-10(9)18)28-17(20,21)27-12;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-10-4-7-3(6)8-5(9-4)11-2;1-8-2-3(6)4(7-8)5(9)10;1-6-2-4-7-5-3-6;2-1-3/h2-7H,1H3,(H,22,23,26);1-5H,(H2,16,17);1-2H3;2H,1H3,(H,9,10);2-5H2,1H3;1H2
• InChIKey: NAKAJZOTFPXCHU-UHFFFAOYSA-N
• XLogP: 10.35
• 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	1234.06
LogP ≤ 5	10.35
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 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine?

The IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine (CID 159724010) is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine.

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

The canonical SMILES for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine is CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Cn1cc(Cl)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n1.Cn1cc(Cl)c(C(=O)O)n1.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

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

The InChIKey is NAKAJZOTFPXCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O3.C12H7ClF2N2O2.C5H6ClN3O2.C5H5ClN2O2.C5H11NO.CH2Cl2/c1-25-7-11(19)15(24-25)16(26)23-14-3-2-8(6-22-14)9-4-12-13(5-10(9)18)28-17(20,21)27-12;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-10-4-7-3(6)8-5(9-4)11-2;1-8-2-3(6)4(7-8)5(9)10;1-6-2-4-7-5-3-6;2-1-3/h2-7H,1H3,(H,22,23,26);1-5H,(H2,16,17);1-2H3;2H,1H3,(H,9,10);2-5H2,1H3;1H2.

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

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine has a molecular weight of 1234.06 g/mol, XLogP of 10.35, 7 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-3-carboxylic acid;dichloromethane;4-methylmorpholine is sourced from PubChem (CID 159724010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).