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

C43H33Cl9F4N10O10S2 — CID 157361904

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

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine (PubChem CID 157361904) has the molecular formula C43H33Cl9F4N10O10S2 and a molecular weight of 1309.00 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine
• PubChem CID: 157361904
• Molecular Formula: C43H33Cl9F4N10O10S2
• Molecular Weight: 1309.00 g/mol
• Exact Mass: 1303.90
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine
• SMILES: CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1nsc(Cl)c1Cl.O=C(O)c1nsc(Cl)c1Cl
• InChI: InChI=1S/C16H6Cl3F2N3O3S.C12H7ClF2N2O2.C5H6ClN3O2.C5H11NO.C4HCl2NO2S.CH2Cl2/c17-8-4-10-9(26-16(20,21)27-10)3-7(8)6-1-2-11(22-5-6)23-15(25)13-12(18)14(19)28-24-13;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;1-6-2-4-7-5-3-6;5-1-2(4(8)9)7-10-3(1)6;2-1-3/h1-5H,(H,22,23,25);1-5H,(H2,16,17);1-2H3;2-5H2,1H3;(H,8,9);1H2
• InChIKey: BISVQAKGGBZNEK-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 250.50 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	1309.00
LogP ≤ 5	13.10
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;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine (CID 157361904) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-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;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine is CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1nsc(Cl)c1Cl.O=C(O)c1nsc(Cl)c1Cl.

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

The InChIKey is BISVQAKGGBZNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Cl3F2N3O3S.C12H7ClF2N2O2.C5H6ClN3O2.C5H11NO.C4HCl2NO2S.CH2Cl2/c17-8-4-10-9(26-16(20,21)27-10)3-7(8)6-1-2-11(22-5-6)23-15(25)13-12(18)14(19)28-24-13;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;1-6-2-4-7-5-3-6;5-1-2(4(8)9)7-10-3(1)6;2-1-3/h1-5H,(H,22,23,25);1-5H,(H2,16,17);1-2H3;2-5H2,1H3;(H,8,9);1H2.

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

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine has a molecular weight of 1309.00 g/mol, XLogP of 13.10, 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;2-chloro-4,6-dimethoxy-1,3,5-triazine;4,5-dichloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,2-thiazole-3-carboxamide;dichloromethane;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 157361904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).