4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium

C116H137Cl2I12N20O9V2-2 — CID 158674672

About 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium

4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium (PubChem CID 158674672) has the molecular formula C116H137Cl2I12N20O9V2-2 and a molecular weight of 3651.14 g/mol. Its IUPAC name is 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium.

Molecular Properties

• Compound Name: 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium
• PubChem CID: 158674672
• Molecular Formula: C116H137Cl2I12N20O9V2-2
• Molecular Weight: 3651.14 g/mol
• Exact Mass: 3648.77
• IUPAC Name: 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium
• SMILES: C.CC#Cc1ncc(C)cc1N.CC#Cc1ncc(C)cc1[N+](=O)[O-].CC(C)I.CCC.CCC(I)(I)I.CCC(I)I.CCCI.Cc1c[nH]c(=O)c([N+](=O)[O-])c1.Cc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc2c(C(=O)CCl)c(C)n(-c3ccc(C#N)cc3)c2c1.Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1.Cc1cnc2cc(C)[nH]c2c1.Cc1cnc2cc(C)n(-c3ccc(C#N)cc3)c2c1.I[V](I)I.I[V]I.[CH2-]C.[CH2-]C
• InChI: InChI=1S/C23H24N4O.C18H14ClN3O.C16H13N3.C9H8N2O2.2C9H10N2.C6H5ClN2O2.C6H6N2O3.C3H5I3.C3H6I2.2C3H7I.C3H8.2C2H5.CH4.5HI.2V/c1-16-12-20-23(25-14-16)22(21(28)15-26-10-4-3-5-11-26)17(2)27(20)19-8-6-18(13-24)7-9-19;1-11-7-15-18(21-10-11)17(16(23)8-19)12(2)22(15)14-5-3-13(9-20)4-6-14;1-11-7-16-15(18-10-11)8-12(2)19(16)14-5-3-13(9-17)4-6-14;1-3-4-8-9(11(12)13)5-7(2)6-10-8;1-6-3-9-8(10-5-6)4-7(2)11-9;1-3-4-9-8(10)5-7(2)6-11-9;1-4-2-5(9(10)11)6(7)8-3-4;1-4-2-5(8(10)11)6(9)7-3-4;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2;2*1-2;;;;;;;;/h6-9,12,14H,3-5,10-11,15H2,1-2H3;3-7,10H,8H2,1-2H3;3-8,10H,1-2H3;5-6H,1-2H3;3-5,11H,1-2H3;5-6H,10H2,1-2H3;2-3H,1H3;2-3H,1H3,(H,7,9);2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3;2*1H2,2H3;1H4;5*1H;;/q;;;;;;;;;;;;;2*-1;;;;;;;+2;+3/p-5
• InChIKey: WSHGIHJCDBDJTF-UHFFFAOYSA-I
• XLogP: 37.13
• TPSA: 417.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3651.14
LogP ≤ 5	37.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium?

The IUPAC name of 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium (CID 158674672) is 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium.

What is the SMILES notation for 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium?

The canonical SMILES for 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium is C.CC#Cc1ncc(C)cc1N.CC#Cc1ncc(C)cc1[N+](=O)[O-].CC(C)I.CCC.CCC(I)(I)I.CCC(I)I.CCCI.Cc1c[nH]c(=O)c([N+](=O)[O-])c1.Cc1cnc(Cl)c([N+](=O)[O-])c1.Cc1cnc2c(C(=O)CCl)c(C)n(-c3ccc(C#N)cc3)c2c1.Cc1cnc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1.Cc1cnc2cc(C)[nH]c2c1.Cc1cnc2cc(C)n(-c3ccc(C#N)cc3)c2c1.I[V](I)I.I[V]I.[CH2-]C.[CH2-]C.

What is the InChIKey of 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium?

The InChIKey is WSHGIHJCDBDJTF-UHFFFAOYSA-I. The full InChI is InChI=1S/C23H24N4O.C18H14ClN3O.C16H13N3.C9H8N2O2.2C9H10N2.C6H5ClN2O2.C6H6N2O3.C3H5I3.C3H6I2.2C3H7I.C3H8.2C2H5.CH4.5HI.2V/c1-16-12-20-23(25-14-16)22(21(28)15-26-10-4-3-5-11-26)17(2)27(20)19-8-6-18(13-24)7-9-19;1-11-7-15-18(21-10-11)17(16(23)8-19)12(2)22(15)14-5-3-13(9-20)4-6-14;1-11-7-16-15(18-10-11)8-12(2)19(16)14-5-3-13(9-17)4-6-14;1-3-4-8-9(11(12)13)5-7(2)6-10-8;1-6-3-9-8(10-5-6)4-7(2)11-9;1-3-4-9-8(10)5-7(2)6-11-9;1-4-2-5(9(10)11)6(7)8-3-4;1-4-2-5(8(10)11)6(9)7-3-4;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;1-2-3-4;1-3-2;2*1-2;;;;;;;;/h6-9,12,14H,3-5,10-11,15H2,1-2H3;3-7,10H,8H2,1-2H3;3-8,10H,1-2H3;5-6H,1-2H3;3-5,11H,1-2H3;5-6H,10H2,1-2H3;2-3H,1H3;2-3H,1H3,(H,7,9);2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H2,1-2H3;2*1H2,2H3;1H4;5*1H;;/q;;;;;;;;;;;;;2*-1;;;;;;;+2;+3/p-5.

What are the key properties of 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium?

4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium has a molecular weight of 3651.14 g/mol, XLogP of 37.13, 14 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-chloroacetyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-chloro-5-methyl-3-nitropyridine;1,1-diiodopropane;diiodovanadium;4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;4-(2,6-dimethylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;ethane;1-iodopropane;2-iodopropane;methane;5-methyl-3-nitro-2-prop-1-ynylpyridine;5-methyl-3-nitro-1H-pyridin-2-one;5-methyl-2-prop-1-ynylpyridin-3-amine;propane;1,1,1-triiodopropane;triiodovanadium is sourced from PubChem (CID 158674672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).