2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride

C26H19Cl3F8N4O6S — CID 158854402

About 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride

2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride (PubChem CID 158854402) has the molecular formula C26H19Cl3F8N4O6S and a molecular weight of 773.87 g/mol. Its IUPAC name is 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride.

Molecular Properties

• Compound Name: 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride
• PubChem CID: 158854402
• Molecular Formula: C26H19Cl3F8N4O6S
• Molecular Weight: 773.87 g/mol
• Exact Mass: 772.00
• IUPAC Name: 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride
• SMILES: CCOC(=O)c1ncc(F)cc1F.Fc1cnc(CCl)c(F)c1.O=C(O)c1ncc(F)cc1F.O=S(Cl)Cl.OCc1ncc(F)cc1F
• InChI: InChI=1S/C8H7F2NO2.C6H4ClF2N.C6H3F2NO2.C6H5F2NO.Cl2OS/c1-2-13-8(12)7-6(10)3-5(9)4-11-7;7-2-6-5(9)1-4(8)3-10-6;7-3-1-4(8)5(6(10)11)9-2-3;7-4-1-5(8)6(3-10)9-2-4;1-4(2)3/h3-4H,2H2,1H3;1,3H,2H2;1-2H,(H,10,11);1-2,10H,3H2
• InChIKey: IZVYAZOTKGGWGL-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 152.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.87
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride?

The IUPAC name of 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride (CID 158854402) is 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride.

What is the SMILES notation for 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride?

The canonical SMILES for 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride is CCOC(=O)c1ncc(F)cc1F.Fc1cnc(CCl)c(F)c1.O=C(O)c1ncc(F)cc1F.O=S(Cl)Cl.OCc1ncc(F)cc1F.

What is the InChIKey of 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride?

The InChIKey is IZVYAZOTKGGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2.C6H4ClF2N.C6H3F2NO2.C6H5F2NO.Cl2OS/c1-2-13-8(12)7-6(10)3-5(9)4-11-7;7-2-6-5(9)1-4(8)3-10-6;7-3-1-4(8)5(6(10)11)9-2-3;7-4-1-5(8)6(3-10)9-2-4;1-4(2)3/h3-4H,2H2,1H3;1,3H,2H2;1-2H,(H,10,11);1-2,10H,3H2;.

What are the key properties of 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride?

2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride has a molecular weight of 773.87 g/mol, XLogP of 6.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-3,5-difluoropyridine;3,5-difluoropyridine-2-carboxylic acid;(3,5-difluoro-2-pyridinyl)methanol;ethyl 3,5-difluoropyridine-2-carboxylate;thionyl dichloride is sourced from PubChem (CID 158854402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).