5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine

C94H108BBr2Cl5F6N16O15S4 — CID 163493408

About 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine

5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine (PubChem CID 163493408) has the molecular formula C94H108BBr2Cl5F6N16O15S4 and a molecular weight of 2292.14 g/mol. Its IUPAC name is 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine.

Molecular Properties

• Compound Name: 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine
• PubChem CID: 163493408
• Molecular Formula: C94H108BBr2Cl5F6N16O15S4
• Molecular Weight: 2292.14 g/mol
• Exact Mass: 2286.39
• IUPAC Name: 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine
• SMILES: CC1(C)OB(/C=C/c2cnc(F)nc2)OC1(C)C.CCCCO.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1/C=C/c1cnc(F)nc1.COc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1/C=C/c1cnc(NC2CCC(N(C)C)CC2)nc1.COc1nc(N)c(F)cc1Br.COc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1Br.O=S(=O)(Cl)c1ccccc1Cl
• InChI: InChI=1S/C27H31ClFN5O3S.C19H14ClF2N3O3S.C12H16BFN2O2.C12H9BrClFN2O3S.C8H18N2.C6H6BrFN2O.C6H4Cl2O2S.C4H10O/c1-34(2)21-12-10-20(11-13-21)32-27-30-15-18(16-31-27)8-9-19-14-23(29)24(33-26(19)37-3)17-38(35,36)25-7-5-4-6-22(25)28;1-28-18-13(7-6-12-9-23-19(22)24-10-12)8-15(21)16(25-18)11-29(26,27)17-5-3-2-4-14(17)20;1-11(2)12(3,4)18-13(17-11)6-5-9-7-15-10(14)16-8-9;1-20-12-7(13)6-9(15)11(16-12)17-21(18,19)10-5-3-2-4-8(10)14;1-10(2)8-5-3-7(9)4-6-8;1-11-6-3(7)2-4(8)5(9)10-6;7-5-3-1-2-4-6(5)11(8,9)10;1-2-3-4-5/h4-9,14-16,20-21H,10-13,17H2,1-3H3,(H,30,31,32);2-10H,11H2,1H3;5-8H,1-4H3;2-6H,1H3,(H,16,17);7-8H,3-6,9H2,1-2H3;2H,1H3,(H2,9,10);1-4H;5H,2-4H2,1H3/b9-8+;7-6+;6-5+
• InChIKey: CONROSHDVSCBSI-GJLLTVSCSA-N
• XLogP: 20.20
• TPSA: 423.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2292.14
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine?

The IUPAC name of 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine (CID 163493408) is 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine.

What is the SMILES notation for 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine?

The canonical SMILES for 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine is CC1(C)OB(/C=C/c2cnc(F)nc2)OC1(C)C.CCCCO.CN(C)C1CCC(N)CC1.COc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1/C=C/c1cnc(F)nc1.COc1nc(CS(=O)(=O)c2ccccc2Cl)c(F)cc1/C=C/c1cnc(NC2CCC(N(C)C)CC2)nc1.COc1nc(N)c(F)cc1Br.COc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1Br.O=S(=O)(Cl)c1ccccc1Cl.

What is the InChIKey of 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine?

The InChIKey is CONROSHDVSCBSI-GJLLTVSCSA-N. The full InChI is InChI=1S/C27H31ClFN5O3S.C19H14ClF2N3O3S.C12H16BFN2O2.C12H9BrClFN2O3S.C8H18N2.C6H6BrFN2O.C6H4Cl2O2S.C4H10O/c1-34(2)21-12-10-20(11-13-21)32-27-30-15-18(16-31-27)8-9-19-14-23(29)24(33-26(19)37-3)17-38(35,36)25-7-5-4-6-22(25)28;1-28-18-13(7-6-12-9-23-19(22)24-10-12)8-15(21)16(25-18)11-29(26,27)17-5-3-2-4-14(17)20;1-11(2)12(3,4)18-13(17-11)6-5-9-7-15-10(14)16-8-9;1-20-12-7(13)6-9(15)11(16-12)17-21(18,19)10-5-3-2-4-8(10)14;1-10(2)8-5-3-7(9)4-6-8;1-11-6-3(7)2-4(8)5(9)10-6;7-5-3-1-2-4-6(5)11(8,9)10;1-2-3-4-5/h4-9,14-16,20-21H,10-13,17H2,1-3H3,(H,30,31,32);2-10H,11H2,1H3;5-8H,1-4H3;2-6H,1H3,(H,16,17);7-8H,3-6,9H2,1-2H3;2H,1H3,(H2,9,10);1-4H;5H,2-4H2,1H3/b9-8+;7-6+;6-5+;;;;;.

What are the key properties of 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine?

5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine has a molecular weight of 2292.14 g/mol, XLogP of 20.20, 26 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-fluoro-6-methoxypyridin-2-amine;N-(5-bromo-3-fluoro-6-methoxy-2-pyridinyl)-2-chlorobenzenesulfonamide;butan-1-ol;2-chlorobenzenesulfonyl chloride;5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]-2-fluoropyrimidine;1-N-[5-[(E)-2-[6-[(2-chlorophenyl)sulfonylmethyl]-5-fluoro-2-methoxy-3-pyridinyl]ethenyl]pyrimidin-2-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;2-fluoro-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrimidine is sourced from PubChem (CID 163493408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).