4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride

C83H79Br4Cl3FN31O13S — CID 159387033

About 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride

4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride (PubChem CID 159387033) has the molecular formula C83H79Br4Cl3FN31O13S and a molecular weight of 2195.79 g/mol. Its IUPAC name is 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride.

Molecular Properties

• Compound Name: 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride
• PubChem CID: 159387033
• Molecular Formula: C83H79Br4Cl3FN31O13S
• Molecular Weight: 2195.79 g/mol
• Exact Mass: 2189.20
• IUPAC Name: 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride
• SMILES: CC(C)n1cnnc1-c1cccc(N)n1.CCOC(=O)c1cn[nH]c1OC.COc1nn(-c2cc(Br)ccn2)cc1C(=O)Cl.COc1nn(-c2cc(Br)ccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(-c2cc(Br)ccn2)cc1C(=O)O.Fc1cc(Br)ccn1.O=S(Cl)Cl.[C-]#[N+]c1ccnc(-n2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(OC)n2)c1
• InChI: InChI=1S/C21H19N9O2.C20H19BrN8O2.C10H7BrClN3O2.C10H8BrN3O3.C10H13N5.C7H10N2O3.C5H3BrFN.Cl2OS/c1-13(2)29-12-24-27-19(29)16-6-5-7-17(25-16)26-20(31)15-11-30(28-21(15)32-4)18-10-14(22-3)8-9-23-18;1-12(2)28-11-23-26-18(28)15-5-4-6-16(24-15)25-19(30)14-10-29(27-20(14)31-3)17-9-13(21)7-8-22-17;1-17-10-7(9(12)16)5-15(14-10)8-4-6(11)2-3-13-8;1-17-9-7(10(15)16)5-14(13-9)8-4-6(11)2-3-12-8;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-12-7(10)5-4-8-9-6(5)11-2;6-4-1-2-8-5(7)3-4;1-4(2)3/h5-13H,1-2,4H3,(H,25,26,31);4-12H,1-3H3,(H,24,25,30);2-5H,1H3;2-5H,1H3,(H,15,16);3-7H,1-2H3,(H2,11,13);4H,3H2,1-2H3,(H,8,9);1-3H
• InChIKey: LLPYRIIQOPFWDE-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 527.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.79
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride?

The IUPAC name of 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride (CID 159387033) is 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride.

What is the SMILES notation for 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride?

The canonical SMILES for 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride is CC(C)n1cnnc1-c1cccc(N)n1.CCOC(=O)c1cn[nH]c1OC.COc1nn(-c2cc(Br)ccn2)cc1C(=O)Cl.COc1nn(-c2cc(Br)ccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(-c2cc(Br)ccn2)cc1C(=O)O.Fc1cc(Br)ccn1.O=S(Cl)Cl.[C-]#[N+]c1ccnc(-n2cc(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c(OC)n2)c1.

What is the InChIKey of 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride?

The InChIKey is LLPYRIIQOPFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O2.C20H19BrN8O2.C10H7BrClN3O2.C10H8BrN3O3.C10H13N5.C7H10N2O3.C5H3BrFN.Cl2OS/c1-13(2)29-12-24-27-19(29)16-6-5-7-17(25-16)26-20(31)15-11-30(28-21(15)32-4)18-10-14(22-3)8-9-23-18;1-12(2)28-11-23-26-18(28)15-5-4-6-16(24-15)25-19(30)14-10-29(27-20(14)31-3)17-9-13(21)7-8-22-17;1-17-10-7(9(12)16)5-15(14-10)8-4-6(11)2-3-13-8;1-17-9-7(10(15)16)5-14(13-9)8-4-6(11)2-3-12-8;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-12-7(10)5-4-8-9-6(5)11-2;6-4-1-2-8-5(7)3-4;1-4(2)3/h5-13H,1-2,4H3,(H,25,26,31);4-12H,1-3H3,(H,24,25,30);2-5H,1H3;2-5H,1H3,(H,15,16);3-7H,1-2H3,(H2,11,13);4H,3H2,1-2H3,(H,8,9);1-3H;.

What are the key properties of 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride?

4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride has a molecular weight of 2195.79 g/mol, XLogP of 16.12, 23 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-fluoropyridine;1-(4-bromo-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carbonyl chloride;1-(4-bromo-2-pyridinyl)-3-methoxypyrazole-4-carboxylic acid;ethyl 5-methoxy-1H-pyrazole-4-carboxylate;1-(4-isocyano-2-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;thionyl dichloride is sourced from PubChem (CID 159387033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).