5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate

C96H90Br7F8N35O21S2 — CID 159664264

About 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate

5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate (PubChem CID 159664264) has the molecular formula C96H90Br7F8N35O21S2 and a molecular weight of 2845.45 g/mol. Its IUPAC name is 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

Molecular Properties

• Compound Name: 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• PubChem CID: 159664264
• Molecular Formula: C96H90Br7F8N35O21S2
• Molecular Weight: 2845.45 g/mol
• Exact Mass: 2837.06
• IUPAC Name: 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• SMILES: COC(=O)c1c(-c2ccc(Br)c(C(Br)Br)n2)nnn1C.COC(=O)c1c(-c2ccc(Br)c(C(F)F)n2)nnn1C.COC(=O)c1c(-c2ccc(Br)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(Br)c(C=O)n2)nnn1C.COC(=O)c1c(-c2ccc(N)c(C(F)F)n2)nnn1C.C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)c(C(F)F)n2)nnn1C)c1ccccc1.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1Br.Cn1nnc(-c2ccc(NS(C)(=O)=O)c(C(F)F)n2)c1C(=O)O
• InChI: InChI=1S/C20H21F2N5O4S.C11H9Br3N4O2.C11H9BrF2N4O2.C11H9BrN4O3.C11H11BrN4O2.C11H11F2N5O4S.C11H11F2N5O2.C10H9BrN4O2/c1-12(13-7-5-4-6-8-13)31-17(28)11-16-18(24-26-27(16)2)14-9-10-15(25-32(3,29)30)19(23-14)20(21)22;2*1-18-9(11(19)20-2)8(16-17-18)6-4-3-5(12)7(15-6)10(13)14;1-16-10(11(18)19-2)9(14-15-16)7-4-3-6(12)8(5-17)13-7;1-6-7(12)4-5-8(13-6)9-10(11(17)18-3)16(2)15-14-9;1-18-9(11(19)20)7(15-17-18)5-3-4-6(16-23(2,21)22)8(14-5)10(12)13;1-18-9(11(19)20-2)8(16-17-18)6-4-3-5(14)7(15-6)10(12)13;1-5-6(11)3-4-7(12-5)8-9(10(16)17)15(2)14-13-8/h4-10,12,20,25H,11H2,1-3H3;2*3-4,10H,1-2H3;3-5H,1-2H3;4-5H,1-3H3;3-4,10,16H,1-2H3,(H,19,20);3-4,10H,14H2,1-2H3;3-4H,1-2H3,(H,16,17)/t12-;;;;;;;/m1......./s1
• InChIKey: MTEXACJCMJQQPU-PXZIBHAUSA-N
• XLogP: 15.30
• TPSA: 716.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 52
• Rotatable Bonds: 29
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2845.45
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The IUPAC name of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate (CID 159664264) is 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

What is the SMILES notation for 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The canonical SMILES for 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate is COC(=O)c1c(-c2ccc(Br)c(C(Br)Br)n2)nnn1C.COC(=O)c1c(-c2ccc(Br)c(C(F)F)n2)nnn1C.COC(=O)c1c(-c2ccc(Br)c(C)n2)nnn1C.COC(=O)c1c(-c2ccc(Br)c(C=O)n2)nnn1C.COC(=O)c1c(-c2ccc(N)c(C(F)F)n2)nnn1C.C[C@@H](OC(=O)Cc1c(-c2ccc(NS(C)(=O)=O)c(C(F)F)n2)nnn1C)c1ccccc1.Cc1nc(-c2nnn(C)c2C(=O)O)ccc1Br.Cn1nnc(-c2ccc(NS(C)(=O)=O)c(C(F)F)n2)c1C(=O)O.

What is the InChIKey of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The InChIKey is MTEXACJCMJQQPU-PXZIBHAUSA-N. The full InChI is InChI=1S/C20H21F2N5O4S.C11H9Br3N4O2.C11H9BrF2N4O2.C11H9BrN4O3.C11H11BrN4O2.C11H11F2N5O4S.C11H11F2N5O2.C10H9BrN4O2/c1-12(13-7-5-4-6-8-13)31-17(28)11-16-18(24-26-27(16)2)14-9-10-15(25-32(3,29)30)19(23-14)20(21)22;2*1-18-9(11(19)20-2)8(16-17-18)6-4-3-5(12)7(15-6)10(13)14;1-16-10(11(18)19-2)9(14-15-16)7-4-3-6(12)8(5-17)13-7;1-6-7(12)4-5-8(13-6)9-10(11(17)18-3)16(2)15-14-9;1-18-9(11(19)20)7(15-17-18)5-3-4-6(16-23(2,21)22)8(14-5)10(12)13;1-18-9(11(19)20-2)8(16-17-18)6-4-3-5(14)7(15-6)10(12)13;1-5-6(11)3-4-7(12-5)8-9(10(16)17)15(2)14-13-8/h4-10,12,20,25H,11H2,1-3H3;2*3-4,10H,1-2H3;3-5H,1-2H3;4-5H,1-3H3;3-4,10,16H,1-2H3,(H,19,20);3-4,10H,14H2,1-2H3;3-4H,1-2H3,(H,16,17)/t12-;;;;;;;/m1......./s1.

What are the key properties of 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate has a molecular weight of 2845.45 g/mol, XLogP of 15.30, 29 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;methyl 5-[5-amino-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(dibromomethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-[5-bromo-6-(difluoromethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-formyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylate;[(1R)-1-phenylethyl] 2-[5-[6-(difluoromethyl)-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate is sourced from PubChem (CID 159664264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).