5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane

C38H25Cl5F6N6O6 — CID 158708379

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane (PubChem CID 158708379) has the molecular formula C38H25Cl5F6N6O6 and a molecular weight of 952.91 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane
• PubChem CID: 158708379
• Molecular Formula: C38H25Cl5F6N6O6
• Molecular Weight: 952.91 g/mol
• Exact Mass: 950.02
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane
• SMILES: C.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cl)c1ccccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F
• InChI: InChI=1S/C18H9ClF3N3O3.C11H6ClF2N3O2.C7H4ClFO.CH2Cl2.CH4/c19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;8-7(10)5-3-1-2-4-6(5)9;2-1-3;/h1-8H,(H,24,25,26);1-4H,(H2,15,17);1-4H;1H2;1H4
• InChIKey: IIKHYQLNLKQXHE-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 160.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	952.91
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane (CID 158708379) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane is C.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Cl)c1ccccc1F.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccccc1F.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane?

The InChIKey is IIKHYQLNLKQXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3O3.C11H6ClF2N3O2.C7H4ClFO.CH2Cl2.CH4/c19-11-6-15-14(27-18(21,22)28-15)5-10(11)13-7-24-16(8-23-13)25-17(26)9-3-1-2-4-12(9)20;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;8-7(10)5-3-1-2-4-6(5)9;2-1-3;/h1-8H,(H,24,25,26);1-4H,(H2,15,17);1-4H;1H2;1H4.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane has a molecular weight of 952.91 g/mol, XLogP of 11.47, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane is sourced from PubChem (CID 158708379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).