2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride

C85H89Cl3N24O9S — CID 160558393

About 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride

2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride (PubChem CID 160558393) has the molecular formula C85H89Cl3N24O9S and a molecular weight of 1729.23 g/mol. Its IUPAC name is 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride.

Molecular Properties

• Compound Name: 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride
• PubChem CID: 160558393
• Molecular Formula: C85H89Cl3N24O9S
• Molecular Weight: 1729.23 g/mol
• Exact Mass: 1726.60
• IUPAC Name: 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride
• SMILES: CC(C#N)c1ncccc1[N+](=O)[O-].CCC#N.CCCc1c[nH]c2cccnc12.CCCc1cn(S(=O)(=O)c2ccccc2Cl)c2cccnc12.CN(C)Cc1c[nH]c2cccnc12.CO.Cl.N#CCc1c[nH]c2cccnc12.N#CCc1ncccc1[N+](=O)[O-].NCCc1c[nH]c2cccnc12.O=[N+]([O-])c1cccnc1Cl.c1cnc2cc[nH]c2c1
• InChI: InChI=1S/C16H15ClN2O2S.C10H13N3.C10H12N2.C9H11N3.C9H7N3.C8H7N3O2.C7H5N3O2.C7H6N2.C5H3ClN2O2.C3H5N.CH4O.ClH/c1-2-6-12-11-19(14-8-5-10-18-16(12)14)22(20,21)15-9-4-3-7-13(15)17;1-13(2)7-8-6-12-9-4-3-5-11-10(8)9;1-2-4-8-7-12-9-5-3-6-11-10(8)9;2*10-4-3-7-6-12-8-2-1-5-11-9(7)8;1-6(5-9)8-7(11(12)13)3-2-4-10-8;8-4-3-6-7(10(11)12)2-1-5-9-6;1-2-6-7(8-4-1)3-5-9-6;6-5-4(8(9)10)2-1-3-7-5;1-2-3-4;1-2;/h3-5,7-11H,2,6H2,1H3;3-6,12H,7H2,1-2H3;3,5-7,12H,2,4H2,1H3;1-2,5-6,12H,3-4,10H2;1-2,5-6,12H,3H2;2-4,6H,1H3;1-2,5H,3H2;1-5,9H;1-3H;2H2,1H3;2H,1H3;1H
• InChIKey: ILXFRALGXCZYLY-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 508.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1729.23
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride?

The IUPAC name of 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride (CID 160558393) is 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride.

What is the SMILES notation for 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride?

The canonical SMILES for 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride is CC(C#N)c1ncccc1[N+](=O)[O-].CCC#N.CCCc1c[nH]c2cccnc12.CCCc1cn(S(=O)(=O)c2ccccc2Cl)c2cccnc12.CN(C)Cc1c[nH]c2cccnc12.CO.Cl.N#CCc1c[nH]c2cccnc12.N#CCc1ncccc1[N+](=O)[O-].NCCc1c[nH]c2cccnc12.O=[N+]([O-])c1cccnc1Cl.c1cnc2cc[nH]c2c1.

What is the InChIKey of 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride?

The InChIKey is ILXFRALGXCZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S.C10H13N3.C10H12N2.C9H11N3.C9H7N3.C8H7N3O2.C7H5N3O2.C7H6N2.C5H3ClN2O2.C3H5N.CH4O.ClH/c1-2-6-12-11-19(14-8-5-10-18-16(12)14)22(20,21)15-9-4-3-7-13(15)17;1-13(2)7-8-6-12-9-4-3-5-11-10(8)9;1-2-4-8-7-12-9-5-3-6-11-10(8)9;2*10-4-3-7-6-12-8-2-1-5-11-9(7)8;1-6(5-9)8-7(11(12)13)3-2-4-10-8;8-4-3-6-7(10(11)12)2-1-5-9-6;1-2-6-7(8-4-1)3-5-9-6;6-5-4(8(9)10)2-1-3-7-5;1-2-3-4;1-2;/h3-5,7-11H,2,6H2,1H3;3-6,12H,7H2,1-2H3;3,5-7,12H,2,4H2,1H3;1-2,5-6,12H,3-4,10H2;1-2,5-6,12H,3H2;2-4,6H,1H3;1-2,5H,3H2;1-5,9H;1-3H;2H2,1H3;2H,1H3;1H.

What are the key properties of 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride?

2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride has a molecular weight of 1729.23 g/mol, XLogP of 17.54, 16 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-nitropyridine;1-(2-chlorophenyl)sulfonyl-3-propylpyrrolo[3,2-b]pyridine;N,N-dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine;methanol;2-(3-nitro-2-pyridinyl)acetonitrile;2-(3-nitro-2-pyridinyl)propanenitrile;propanenitrile;3-propyl-1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-b]pyridine;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile;2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 160558393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).