2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride

C96H108Cl3F14N17O19 — CID 157397045

About 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride

2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride (PubChem CID 157397045) has the molecular formula C96H108Cl3F14N17O19 and a molecular weight of 2176.35 g/mol. Its IUPAC name is 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride.

Molecular Properties

• Compound Name: 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride
• PubChem CID: 157397045
• Molecular Formula: C96H108Cl3F14N17O19
• Molecular Weight: 2176.35 g/mol
• Exact Mass: 2173.68
• IUPAC Name: 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride
• SMILES: CC1CCC(C(=O)Cl)CC1.COC(=O)c1cc(C)c(F)cc1[NH3+].COCCN(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)O.COCCNc1cc(F)c(C)cc1C(=O)OC.COCCNc1cc(F)c(O)cc1C(=O)OC.COCCNc1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)OC.FC(F)(F)c1cc(Cn2nccn2)cnc1Cl.[Cl-]
• InChI: InChI=1S/C27H29F4N5O5.C20H19F4N5O4.C12H16FNO3.C11H14FNO4.C9H6ClF3N4.C9H10FNO2.C8H13ClO.ClH/c1-16-3-5-18(6-4-16)25(37)35(9-10-40-2)22-13-21(28)23(12-19(22)26(38)39)41-24-20(27(29,30)31)11-17(14-32-24)15-36-33-7-8-34-36;1-31-6-5-25-16-9-15(21)17(8-13(16)19(30)32-2)33-18-14(20(22,23)24)7-12(10-26-18)11-29-27-3-4-28-29;1-8-6-9(12(15)17-3)11(7-10(8)13)14-4-5-16-2;1-16-4-3-13-9-6-8(12)10(14)5-7(9)11(15)17-2;10-8-7(9(11,12)13)3-6(4-14-8)5-17-15-1-2-16-17;1-5-3-6(9(12)13-2)8(11)4-7(5)10;1-6-2-4-7(5-3-6)8(9)10;/h7-8,11-14,16,18H,3-6,9-10,15H2,1-2H3,(H,38,39);3-4,7-10,25H,5-6,11H2,1-2H3;6-7,14H,4-5H2,1-3H3;5-6,13-14H,3-4H2,1-2H3;1-4H,5H2;3-4H,11H2,1-2H3;6-7H,2-5H2,1H3;1H
• InChIKey: WFEJCGOTYBXTQH-UHFFFAOYSA-N
• XLogP: 14.82
• TPSA: 450.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.35
LogP ≤ 5	14.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride?

The IUPAC name of 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride (CID 157397045) is 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride.

What is the SMILES notation for 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride?

The canonical SMILES for 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride is CC1CCC(C(=O)Cl)CC1.COC(=O)c1cc(C)c(F)cc1[NH3+].COCCN(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)O.COCCNc1cc(F)c(C)cc1C(=O)OC.COCCNc1cc(F)c(O)cc1C(=O)OC.COCCNc1cc(F)c(Oc2ncc(Cn3nccn3)cc2C(F)(F)F)cc1C(=O)OC.FC(F)(F)c1cc(Cn2nccn2)cnc1Cl.[Cl-].

What is the InChIKey of 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride?

The InChIKey is WFEJCGOTYBXTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F4N5O5.C20H19F4N5O4.C12H16FNO3.C11H14FNO4.C9H6ClF3N4.C9H10FNO2.C8H13ClO.ClH/c1-16-3-5-18(6-4-16)25(37)35(9-10-40-2)22-13-21(28)23(12-19(22)26(38)39)41-24-20(27(29,30)31)11-17(14-32-24)15-36-33-7-8-34-36;1-31-6-5-25-16-9-15(21)17(8-13(16)19(30)32-2)33-18-14(20(22,23)24)7-12(10-26-18)11-29-27-3-4-28-29;1-8-6-9(12(15)17-3)11(7-10(8)13)14-4-5-16-2;1-16-4-3-13-9-6-8(12)10(14)5-7(9)11(15)17-2;10-8-7(9(11,12)13)3-6(4-14-8)5-17-15-1-2-16-17;1-5-3-6(9(12)13-2)8(11)4-7(5)10;1-6-2-4-7(5-3-6)8(9)10;/h7-8,11-14,16,18H,3-6,9-10,15H2,1-2H3,(H,38,39);3-4,7-10,25H,5-6,11H2,1-2H3;6-7,14H,4-5H2,1-3H3;5-6,13-14H,3-4H2,1-2H3;1-4H,5H2;3-4H,11H2,1-2H3;6-7H,2-5H2,1H3;1H.

What are the key properties of 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride?

2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride has a molecular weight of 2176.35 g/mol, XLogP of 14.82, 33 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(triazol-2-ylmethyl)-3-(trifluoromethyl)pyridine;(5-fluoro-2-methoxycarbonyl-4-methylphenyl)azanium;4-fluoro-2-[2-methoxyethyl-(4-methylcyclohexanecarbonyl)amino]-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid;4-methylcyclohexane-1-carbonyl chloride;methyl 4-fluoro-5-hydroxy-2-(2-methoxyethylamino)benzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-methylbenzoate;methyl 4-fluoro-2-(2-methoxyethylamino)-5-[[5-(triazol-2-ylmethyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate;chloride is sourced from PubChem (CID 157397045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).