dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride

C38H33Cl6N9O9S — CID 157105618

About dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride

dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride (PubChem CID 157105618) has the molecular formula C38H33Cl6N9O9S and a molecular weight of 1004.52 g/mol. Its IUPAC name is dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride.

Molecular Properties

• Compound Name: dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride
• PubChem CID: 157105618
• Molecular Formula: C38H33Cl6N9O9S
• Molecular Weight: 1004.52 g/mol
• Exact Mass: 1001.03
• IUPAC Name: dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride
• SMILES: C.ClCCl.Nc1ccncc1.O=C(Cl)c1cccc(C(=O)Cl)n1.O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)n1.O=C(O)c1cccc(C(=O)O)n1.O=S(Cl)Cl
• InChI: InChI=1S/C17H13N5O2.C7H3Cl2NO2.C7H5NO4.C5H6N2.CH2Cl2.CH4.Cl2OS/c23-16(20-12-4-8-18-9-5-12)14-2-1-3-15(22-14)17(24)21-13-6-10-19-11-7-13;8-6(11)4-2-1-3-5(10-4)7(9)12;9-6(10)4-2-1-3-5(8-4)7(11)12;6-5-1-3-7-4-2-5;2-1-3;;1-4(2)3/h1-11H,(H,18,20,23)(H,19,21,24);1-3H;1-3H,(H,9,10)(H,11,12);1-4H,(H2,6,7);1H2;1H4
• InChIKey: AGGNOTAUNGTHEY-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 287.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1004.52
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride?

The IUPAC name of dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride (CID 157105618) is dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride.

What is the SMILES notation for dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride?

The canonical SMILES for dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride is C.ClCCl.Nc1ccncc1.O=C(Cl)c1cccc(C(=O)Cl)n1.O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccncc2)n1.O=C(O)c1cccc(C(=O)O)n1.O=S(Cl)Cl.

What is the InChIKey of dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride?

The InChIKey is AGGNOTAUNGTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2.C7H3Cl2NO2.C7H5NO4.C5H6N2.CH2Cl2.CH4.Cl2OS/c23-16(20-12-4-8-18-9-5-12)14-2-1-3-15(22-14)17(24)21-13-6-10-19-11-7-13;8-6(11)4-2-1-3-5(10-4)7(9)12;9-6(10)4-2-1-3-5(8-4)7(11)12;6-5-1-3-7-4-2-5;2-1-3;;1-4(2)3/h1-11H,(H,18,20,23)(H,19,21,24);1-3H;1-3H,(H,9,10)(H,11,12);1-4H,(H2,6,7);1H2;1H4;.

What are the key properties of dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride?

dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride has a molecular weight of 1004.52 g/mol, XLogP of 8.46, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;2-N,6-N-dipyridin-4-ylpyridine-2,6-dicarboxamide;methane;pyridin-4-amine;pyridine-2,6-dicarbonyl chloride;pyridine-2,6-dicarboxylic acid;thionyl dichloride is sourced from PubChem (CID 157105618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).