5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid

C64H45Br5Cl2F14N22O20 — CID 163524949

About 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid

5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid (PubChem CID 163524949) has the molecular formula C64H45Br5Cl2F14N22O20 and a molecular weight of 2178.60 g/mol. Its IUPAC name is 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid
• PubChem CID: 163524949
• Molecular Formula: C64H45Br5Cl2F14N22O20
• Molecular Weight: 2178.60 g/mol
• Exact Mass: 2171.83
• IUPAC Name: 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid
• SMILES: COC(=O)C(Oc1nc(Br)ccc1[N+](=O)[O-])C(F)(F)F.C[C@@H](O)c1cc(F)cnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)nnn1C)c1cc(F)cnc1Cl.Cn1nnc(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)c1C(=O)O.Cn1nnc(Br)c1C(=O)O.O=C1Nc2ccc(Br)nc2OC1C(F)(F)F.O=[N+]([O-])c1ccc(Br)nc1Br
• InChI: InChI=1S/C19H14ClF4N7O4.C12H8F3N5O4.C9H6BrF3N2O5.C8H4BrF3N2O2.C7H7ClFNO.C5H2Br2N2O2.C4H4BrN3O2/c1-7(9-5-8(21)6-25-14(9)20)34-18(33)28-15-12(29-30-31(15)2)10-3-4-11-17(27-10)35-13(16(32)26-11)19(22,23)24;1-20-7(11(22)23)6(18-19-20)4-2-3-5-10(17-4)24-8(9(21)16-5)12(13,14)15;1-19-8(16)6(9(11,12)13)20-7-4(15(17)18)2-3-5(10)14-7;9-4-2-1-3-7(14-4)16-5(6(15)13-3)8(10,11)12;1-4(11)6-2-5(9)3-10-7(6)8;6-4-2-1-3(9(10)11)5(7)8-4;1-8-2(4(9)10)3(5)6-7-8/h3-7,13H,1-2H3,(H,26,32)(H,28,33);2-3,8H,1H3,(H,16,21)(H,22,23);2-3,6H,1H3;1-2,5H,(H,13,15);2-4,11H,1H3;1-2H;1H3,(H,9,10)/t7-,13?;;;;4-;;/m1...1../s1
• InChIKey: DNYLENCHOYVLGC-RWVPVPBNSA-N
• XLogP: 13.53
• TPSA: 552.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.60
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid?

The IUPAC name of 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid (CID 163524949) is 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid.

What is the SMILES notation for 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid?

The canonical SMILES for 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid is COC(=O)C(Oc1nc(Br)ccc1[N+](=O)[O-])C(F)(F)F.C[C@@H](O)c1cc(F)cnc1Cl.C[C@@H](OC(=O)Nc1c(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)nnn1C)c1cc(F)cnc1Cl.Cn1nnc(-c2ccc3c(n2)OC(C(F)(F)F)C(=O)N3)c1C(=O)O.Cn1nnc(Br)c1C(=O)O.O=C1Nc2ccc(Br)nc2OC1C(F)(F)F.O=[N+]([O-])c1ccc(Br)nc1Br.

What is the InChIKey of 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid?

The InChIKey is DNYLENCHOYVLGC-RWVPVPBNSA-N. The full InChI is InChI=1S/C19H14ClF4N7O4.C12H8F3N5O4.C9H6BrF3N2O5.C8H4BrF3N2O2.C7H7ClFNO.C5H2Br2N2O2.C4H4BrN3O2/c1-7(9-5-8(21)6-25-14(9)20)34-18(33)28-15-12(29-30-31(15)2)10-3-4-11-17(27-10)35-13(16(32)26-11)19(22,23)24;1-20-7(11(22)23)6(18-19-20)4-2-3-5-10(17-4)24-8(9(21)16-5)12(13,14)15;1-19-8(16)6(9(11,12)13)20-7-4(15(17)18)2-3-5(10)14-7;9-4-2-1-3-7(14-4)16-5(6(15)13-3)8(10,11)12;1-4(11)6-2-5(9)3-10-7(6)8;6-4-2-1-3(9(10)11)5(7)8-4;1-8-2(4(9)10)3(5)6-7-8/h3-7,13H,1-2H3,(H,26,32)(H,28,33);2-3,8H,1H3,(H,16,21)(H,22,23);2-3,6H,1H3;1-2,5H,(H,13,15);2-4,11H,1H3;1-2H;1H3,(H,9,10)/t7-,13?;;;;4-;;/m1...1../s1.

What are the key properties of 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid?

5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid has a molecular weight of 2178.60 g/mol, XLogP of 13.53, 13 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-methyltriazole-4-carboxylic acid;6-bromo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-2-one;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazol-4-yl]carbamate;2,6-dibromo-3-nitropyridine;methyl 2-[(6-bromo-3-nitro-2-pyridinyl)oxy]-3,3,3-trifluoropropanoate;3-methyl-5-[2-oxo-3-(trifluoromethyl)-1H-pyrido[2,3-b][1,4]oxazin-6-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 163524949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).