6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide

C115H119F8Ir5N22O — CID 158521436

About 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide

6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide (PubChem CID 158521436) has the molecular formula C115H119F8Ir5N22O and a molecular weight of 2938.44 g/mol. Its IUPAC name is 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide.

Molecular Properties

• Compound Name: 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide
• PubChem CID: 158521436
• Molecular Formula: C115H119F8Ir5N22O
• Molecular Weight: 2938.44 g/mol
• Exact Mass: 2940.80
• IUPAC Name: 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide
• SMILES: CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CNCc1cc(-c2[c-]c(F)cc(F)c2)nc(N(C)C)c1.CNCc1cc(-c2[c-]cc(F)cc2F)nc(N(C)C)c1.CNCc1ccnc(-c2[c-]c(F)cc(F)c2)c1.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.CNCc1ccnc(-c2[c-]ccc(CO)c2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/2C15H16F2N3.C14H15N2O.2C13H11F2N2.5C8H10N.5CN.5Ir/c1-18-9-10-4-14(19-15(5-10)20(2)3)11-6-12(16)8-13(17)7-11;1-18-9-10-6-14(19-15(7-10)20(2)3)12-5-4-11(16)8-13(12)17;1-15-9-11-5-6-16-14(8-11)13-4-2-3-12(7-13)10-17;1-16-8-9-2-3-17-13(4-9)10-5-11(14)7-12(15)6-10;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;5*1-9(2)8-6-4-3-5-7-8;5*1-2;;;;;/h4-6,8,18H,9H2,1-3H3;4,6-8,18H,9H2,1-3H3;2-3,5-8,15,17H,9-10H2,1H3;2-5,7,16H,8H2,1H3;2,4-7,16H,8H2,1H3;5*4-7H,1-2H3;;;;;;;;;;/q15*-1;5*+3
• InChIKey: UNQQBPCXIOJCIG-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 286.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2938.44
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide?

The IUPAC name of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide (CID 158521436) is 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide.

What is the SMILES notation for 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide?

The canonical SMILES for 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide is CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.CNCc1cc(-c2[c-]c(F)cc(F)c2)nc(N(C)C)c1.CNCc1cc(-c2[c-]cc(F)cc2F)nc(N(C)C)c1.CNCc1ccnc(-c2[c-]c(F)cc(F)c2)c1.CNCc1ccnc(-c2[c-]cc(F)cc2F)c1.CNCc1ccnc(-c2[c-]ccc(CO)c2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide?

The InChIKey is UNQQBPCXIOJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16F2N3.C14H15N2O.2C13H11F2N2.5C8H10N.5CN.5Ir/c1-18-9-10-4-14(19-15(5-10)20(2)3)11-6-12(16)8-13(17)7-11;1-18-9-10-6-14(19-15(7-10)20(2)3)12-5-4-11(16)8-13(12)17;1-15-9-11-5-6-16-14(8-11)13-4-2-3-12(7-13)10-17;1-16-8-9-2-3-17-13(4-9)10-5-11(14)7-12(15)6-10;1-16-8-9-4-5-17-13(6-9)11-3-2-10(14)7-12(11)15;5*1-9(2)8-6-4-3-5-7-8;5*1-2;;;;;/h4-6,8,18H,9H2,1-3H3;4,6-8,18H,9H2,1-3H3;2-3,5-8,15,17H,9-10H2,1H3;2-5,7,16H,8H2,1H3;2,4-7,16H,8H2,1H3;5*4-7H,1-2H3;;;;;;;;;;/q15*-1;5*+3.

What are the key properties of 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide?

6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide has a molecular weight of 2938.44 g/mol, XLogP of 20.31, 23 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;6-(3,5-difluorobenzene-6-id-1-yl)-N,N-dimethyl-4-(methylaminomethyl)pyridin-2-amine;1-[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;1-[2-(3,5-difluorobenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine;pentakis(N,N-dimethylaniline);pentakis(iridium(3+));[3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;pentacyanide is sourced from PubChem (CID 158521436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).