3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine

C₉₆H₁₁₁BrClF₆N₂₁O₁₈ — CID 159903824

About 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine

3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine (PubChem CID 159903824) has the molecular formula C₉₆H₁₁₁BrClF₆N₂₁O₁₈ and a molecular weight of 2076.42 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine.

Molecular Properties

• Compound Name: 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine
• PubChem CID: 159903824
• Molecular Formula: C₉₆H₁₁₁BrClF₆N₂₁O₁₈
• Molecular Weight: 2076.42 g/mol
• Exact Mass: 2073.72
• IUPAC Name: 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine
• SMILES: CC(C)(C)OC(=O)N1CCCC1=O.CCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)c[nH]c3=O)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1Br.COc1ncc(F)cc1C(=O)CCCNC(=O)OC(C)(C)C.COc1ncc(F)cc1C1=NCCC1.COc1ncc(F)cc1C1CCCN1
• InChI: InChI=1S/C19H20FN5O3.C18H18FN5O3.C15H21FN2O4.C10H13FN2O.C10H11FN2O.C9H8ClN3O2.C9H15NO3.C6H5BrFNO/c1-3-28-19(26)14-11-22-25-8-6-16(23-17(14)25)24-7-4-5-15(24)13-9-12(20)10-21-18(13)27-2;1-2-27-18(26)13-10-21-24-7-5-15(22-16(13)24)23-6-3-4-14(23)12-8-11(19)9-20-17(12)25;1-15(2,3)22-14(20)17-7-5-6-12(19)11-8-10(16)9-18-13(11)21-4;2*1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;1-9(2,3)13-8(12)10-6-4-5-7(10)11;1-10-6-5(7)2-4(8)3-9-6/h6,8-11,15H,3-5,7H2,1-2H3;5,7-10,14H,2-4,6H2,1H3,(H,20,25);8-9H,5-7H2,1-4H3,(H,17,20);5-6,9,12H,2-4H2,1H3;5-6H,2-4H2,1H3;3-5H,2H2,1H3;4-6H2,1-3H3;2-3H,1H3
• InChIKey: NWHODHMCIXMDTG-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 445.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2076.42
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

The IUPAC name of 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine (CID 159903824) is 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine.

What is the SMILES notation for 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

The canonical SMILES for 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine is CC(C)(C)OC(=O)N1CCCC1=O.CCOC(=O)c1cnn2ccc(Cl)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)c[nH]c3=O)nc12.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3OC)nc12.COc1ncc(F)cc1Br.COc1ncc(F)cc1C(=O)CCCNC(=O)OC(C)(C)C.COc1ncc(F)cc1C1=NCCC1.COc1ncc(F)cc1C1CCCN1.

What is the InChIKey of 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

The InChIKey is NWHODHMCIXMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3.C18H18FN5O3.C15H21FN2O4.C10H13FN2O.C10H11FN2O.C9H8ClN3O2.C9H15NO3.C6H5BrFNO/c1-3-28-19(26)14-11-22-25-8-6-16(23-17(14)25)24-7-4-5-15(24)13-9-12(20)10-21-18(13)27-2;1-2-27-18(26)13-10-21-24-7-5-15(22-16(13)24)23-6-3-4-14(23)12-8-11(19)9-20-17(12)25;1-15(2,3)22-14(20)17-7-5-6-12(19)11-8-10(16)9-18-13(11)21-4;2*1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;1-9(2,3)13-8(12)10-6-4-5-7(10)11;1-10-6-5(7)2-4(8)3-9-6/h6,8-11,15H,3-5,7H2,1-2H3;5,7-10,14H,2-4,6H2,1H3,(H,20,25);8-9H,5-7H2,1-4H3,(H,17,20);5-6,9,12H,2-4H2,1H3;5-6H,2-4H2,1H3;3-5H,2H2,1H3;4-6H2,1-3H3;2-3H,1H3.

What are the key properties of 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine?

3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine has a molecular weight of 2076.42 g/mol, XLogP of 16.14, 22 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-fluoro-2-methoxypyridine;tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)-4-oxobutyl]carbamate;tert-butyl 2-oxopyrrolidine-1-carboxylate;3-(3,4-dihydro-2H-pyrrol-5-yl)-5-fluoro-2-methoxypyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-fluoro-2-methoxy-3-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 159903824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159903824 — identifiers, structure, computed properties (public domain)

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