sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride

C86H82Cl6F3N22NaO23 — CID 160518757

About sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride

sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride (PubChem CID 160518757) has the molecular formula C86H82Cl6F3N22NaO23 and a molecular weight of 2085.44 g/mol. Its IUPAC name is sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride.

Molecular Properties

• Compound Name: sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride
• PubChem CID: 160518757
• Molecular Formula: C86H82Cl6F3N22NaO23
• Molecular Weight: 2085.44 g/mol
• Exact Mass: 2081.40
• IUPAC Name: sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride
• SMILES: C.C.C.CN1C(=O)c2cc(Cl)c([N+](=O)[O-])cc2C1=O.CN1C(=O)c2cc(N)c(N)cc2C1=O.CN1C(=O)c2cc(N)c([N+](=O)[O-])cc2C1=O.CN1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C)C3=O.COc1nccc(Cl)c1C=O.Cl.NC(N)=O.NCCc1cc(F)ccc1F.O=C1NC(=O)c2cc([N+](=O)[O-])c(Cl)cc21.[2H]CF.[H-].[H][H].[Na+]
• InChI: InChI=1S/C16H11ClN4O3.C15H9ClN4O3.C9H5ClN2O4.C9H7N3O4.C9H9N3O2.C8H3ClN2O4.C8H9F2N.C7H6ClNO2.CH3F.CH4N2O.3CH4.ClH.Na.H2.H/c1-21-15(22)7-5-10-11(6-8(7)16(21)23)20-13(19-10)12-9(17)3-4-18-14(12)24-2;1-20-14(22)6-4-9-10(5-7(6)15(20)23)19-12(18-9)11-8(16)2-3-17-13(11)21;2*1-11-8(13)4-2-6(10)7(12(15)16)3-5(4)9(11)14;1-12-8(13)4-2-6(10)7(11)3-5(4)9(12)14;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;9-7-1-2-8(10)6(5-7)3-4-11;1-11-7-5(4-10)6(8)2-3-9-7;1-2;2-1(3)4;;;;;;;/h3-6H,1-2H3,(H,19,20);2-5H,1H3,(H,17,21)(H,18,19);2-3H,1H3;2-3H,10H2,1H3;2-3H,10-11H2,1H3;1-2H,(H,10,12,13);1-2,5H,3-4,11H2;2-4H,1H3;1H3;(H4,2,3,4);3*1H4;1H;;1H;/q;;;;;;;;;;;;;;+1;;-1/i;;;;;;;;1D
• InChIKey: KKORKCOUMOVNHJ-VDLJMYBMSA-N
• XLogP: 9.72
• TPSA: 687.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.44
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride?

The IUPAC name of sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride (CID 160518757) is sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride.

What is the SMILES notation for sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride?

The canonical SMILES for sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride is C.C.C.CN1C(=O)c2cc(Cl)c([N+](=O)[O-])cc2C1=O.CN1C(=O)c2cc(N)c(N)cc2C1=O.CN1C(=O)c2cc(N)c([N+](=O)[O-])cc2C1=O.CN1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O.COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C)C3=O.COc1nccc(Cl)c1C=O.Cl.NC(N)=O.NCCc1cc(F)ccc1F.O=C1NC(=O)c2cc([N+](=O)[O-])c(Cl)cc21.[2H]CF.[H-].[H][H].[Na+].

What is the InChIKey of sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride?

The InChIKey is KKORKCOUMOVNHJ-VDLJMYBMSA-N. The full InChI is InChI=1S/C16H11ClN4O3.C15H9ClN4O3.C9H5ClN2O4.C9H7N3O4.C9H9N3O2.C8H3ClN2O4.C8H9F2N.C7H6ClNO2.CH3F.CH4N2O.3CH4.ClH.Na.H2.H/c1-21-15(22)7-5-10-11(6-8(7)16(21)23)20-13(19-10)12-9(17)3-4-18-14(12)24-2;1-20-14(22)6-4-9-10(5-7(6)15(20)23)19-12(18-9)11-8(16)2-3-17-13(11)21;2*1-11-8(13)4-2-6(10)7(12(15)16)3-5(4)9(11)14;1-12-8(13)4-2-6(10)7(11)3-5(4)9(12)14;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;9-7-1-2-8(10)6(5-7)3-4-11;1-11-7-5(4-10)6(8)2-3-9-7;1-2;2-1(3)4;;;;;;;/h3-6H,1-2H3,(H,19,20);2-5H,1H3,(H,17,21)(H,18,19);2-3H,1H3;2-3H,10H2,1H3;2-3H,10-11H2,1H3;1-2H,(H,10,12,13);1-2,5H,3-4,11H2;2-4H,1H3;1H3;(H4,2,3,4);3*1H4;1H;;1H;/q;;;;;;;;;;;;;;+1;;-1/i;;;;;;;;1D;;;;;;;;.

What are the key properties of sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride?

sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride has a molecular weight of 2085.44 g/mol, XLogP of 9.72, 10 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-amino-2-methyl-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5-chloro-2-methyl-6-nitroisoindole-1,3-dione;5-chloro-6-nitroisoindole-1,3-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;deuterio(fluoro)methane;5,6-diamino-2-methylisoindole-1,3-dione;2-(2,5-difluorophenyl)ethanamine;hydride;methane;molecular hydrogen;urea;hydrochloride is sourced from PubChem (CID 160518757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).