5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane

C134H92Br2Cl5F20N17O14 — CID 157266597

About 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane

5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane (PubChem CID 157266597) has the molecular formula C134H92Br2Cl5F20N17O14 and a molecular weight of 2881.35 g/mol. Its IUPAC name is 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane.

Molecular Properties

• Compound Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane
• PubChem CID: 157266597
• Molecular Formula: C134H92Br2Cl5F20N17O14
• Molecular Weight: 2881.35 g/mol
• Exact Mass: 2875.35
• IUPAC Name: 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane
• SMILES: C.Cc1ccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cccc(C)c1CNc1ccc(-c2cc3c(cc2Br)OCO3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Br)OCO3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C21H19BrN2O2.C19H13BrF2N2O2.2C19H11ClF4N2O2.C19H14ClF2N3O2.2C18H10ClF4N3O2.CH4/c1-13-4-3-5-14(2)17(13)11-24-21-7-6-15(10-23-21)16-8-19-20(9-18(16)22)26-12-25-19;20-14-7-18-17(25-10-26-18)6-12(14)11-4-5-19(23-8-11)24-9-13-15(21)2-1-3-16(13)22;2*20-13-7-17-16(27-19(23,24)28-17)6-11(13)10-4-5-18(25-8-10)26-9-12-14(21)2-1-3-15(12)22;1-11-2-3-12(8-23-11)9-24-18-5-4-13(10-25-18)14-6-16-17(7-15(14)20)27-19(21,22)26-16;2*19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21;/h3-10H,11-12H2,1-2H3,(H,23,24);1-8H,9-10H2,(H,23,24);2*1-8H,9H2,(H,25,26);2-8,10H,9H2,1H3,(H,24,25);2*1-5,7-8H,6H2,(H,25,26);1H4
• InChIKey: AYBJQDVFICFQNZ-UHFFFAOYSA-N
• XLogP: 37.52
• TPSA: 342.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2881.35
LogP ≤ 5	37.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane?

The IUPAC name of 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane (CID 157266597) is 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane.

What is the SMILES notation for 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane?

The canonical SMILES for 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane is C.Cc1ccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)cn1.Cc1cccc(C)c1CNc1ccc(-c2cc3c(cc2Br)OCO3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Br)OCO3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Fc1cccc(F)c1CNc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane?

The InChIKey is AYBJQDVFICFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2.C19H13BrF2N2O2.2C19H11ClF4N2O2.C19H14ClF2N3O2.2C18H10ClF4N3O2.CH4/c1-13-4-3-5-14(2)17(13)11-24-21-7-6-15(10-23-21)16-8-19-20(9-18(16)22)26-12-25-19;20-14-7-18-17(25-10-26-18)6-12(14)11-4-5-19(23-8-11)24-9-13-15(21)2-1-3-16(13)22;2*20-13-7-17-16(27-19(23,24)28-17)6-11(13)10-4-5-18(25-8-10)26-9-12-14(21)2-1-3-15(12)22;1-11-2-3-12(8-23-11)9-24-18-5-4-13(10-25-18)14-6-16-17(7-15(14)20)27-19(21,22)26-16;2*19-11-5-16-15(27-18(22,23)28-16)4-9(11)14-7-26-17(8-24-14)25-6-10-12(20)2-1-3-13(10)21;/h3-10H,11-12H2,1-2H3,(H,23,24);1-8H,9-10H2,(H,23,24);2*1-8H,9H2,(H,25,26);2-8,10H,9H2,1H3,(H,24,25);2*1-5,7-8H,6H2,(H,25,26);1H4.

What are the key properties of 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane?

5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane has a molecular weight of 2881.35 g/mol, XLogP of 37.52, 28 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine;5-(6-bromo-1,3-benzodioxol-5-yl)-N-[(2,6-dimethylphenyl)methyl]pyridin-2-amine;bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine);bis(5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine);5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine;methane is sourced from PubChem (CID 157266597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).