(2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide

C83H91BBr7F9N18O15 — CID 162068064

About (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide

(2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide (PubChem CID 162068064) has the molecular formula C83H91BBr7F9N18O15 and a molecular weight of 2321.87 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide.

Molecular Properties

• Compound Name: (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide
• PubChem CID: 162068064
• Molecular Formula: C83H91BBr7F9N18O15
• Molecular Weight: 2321.87 g/mol
• Exact Mass: 2314.11
• IUPAC Name: (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide
• SMILES: Br.Brc1cnc2c(c1)COCCN2.CC1(C)OB(c2cncc(C(F)(F)F)c2)OC1(C)C.CCOC(=O)CO.CCOC(=O)COCc1cc(Br)cnc1N.FC(F)(F)c1cncc(-c2cnc3c(c2)COCCN3)c1.NC(=O)N1CCOCc2cc(-c3cncc(C(F)(F)F)c3)cnc21.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.O=C1COCc2cc(Br)cnc2N1
• InChI: InChI=1S/C15H13F3N4O2.C14H12F3N3O.C12H15BF3NO2.C10H13BrN2O3.C8H7BrN2O2.C8H9BrN2O.C6H6Br2N2.C6H7BrN2O.C4H8O3.BrH/c16-15(17,18)12-4-10(5-20-7-12)9-3-11-8-24-2-1-22(14(19)23)13(11)21-6-9;15-14(16,17)12-4-10(5-18-7-12)9-3-11-8-21-2-1-19-13(11)20-6-9;1-10(2)11(3,4)19-13(18-10)9-5-8(6-17-7-9)12(14,15)16;1-2-16-9(14)6-15-5-7-3-8(11)4-13-10(7)12;9-6-1-5-3-13-4-7(12)11-8(5)10-2-6;9-7-3-6-5-12-2-1-10-8(6)11-4-7;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;1-2-7-4(6)3-5;/h3-7H,1-2,8H2,(H2,19,23);3-7H,1-2,8H2,(H,19,20);5-7H,1-4H3;3-4H,2,5-6H2,1H3,(H2,12,13);1-2H,3-4H2,(H,10,11,12);3-4H,1-2,5H2,(H,10,11);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);5H,2-3H2,1H3;1H
• InChIKey: UWKCNUYGNWGULJ-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 464.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2321.87
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide?

The IUPAC name of (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide (CID 162068064) is (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide.

What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide?

The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide is Br.Brc1cnc2c(c1)COCCN2.CC1(C)OB(c2cncc(C(F)(F)F)c2)OC1(C)C.CCOC(=O)CO.CCOC(=O)COCc1cc(Br)cnc1N.FC(F)(F)c1cncc(-c2cnc3c(c2)COCCN3)c1.NC(=O)N1CCOCc2cc(-c3cncc(C(F)(F)F)c3)cnc21.Nc1ncc(Br)cc1CBr.Nc1ncc(Br)cc1CO.O=C1COCc2cc(Br)cnc2N1.

What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide?

The InChIKey is UWKCNUYGNWGULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2.C14H12F3N3O.C12H15BF3NO2.C10H13BrN2O3.C8H7BrN2O2.C8H9BrN2O.C6H6Br2N2.C6H7BrN2O.C4H8O3.BrH/c16-15(17,18)12-4-10(5-20-7-12)9-3-11-8-24-2-1-22(14(19)23)13(11)21-6-9;15-14(16,17)12-4-10(5-18-7-12)9-3-11-8-21-2-1-19-13(11)20-6-9;1-10(2)11(3,4)19-13(18-10)9-5-8(6-17-7-9)12(14,15)16;1-2-16-9(14)6-15-5-7-3-8(11)4-13-10(7)12;9-6-1-5-3-13-4-7(12)11-8(5)10-2-6;9-7-3-6-5-12-2-1-10-8(6)11-4-7;7-2-4-1-5(8)3-10-6(4)9;7-5-1-4(3-10)6(8)9-2-5;1-2-7-4(6)3-5;/h3-7H,1-2,8H2,(H2,19,23);3-7H,1-2,8H2,(H,19,20);5-7H,1-4H3;3-4H,2,5-6H2,1H3,(H2,12,13);1-2H,3-4H2,(H,10,11,12);3-4H,1-2,5H2,(H,10,11);1,3H,2H2,(H2,9,10);1-2,10H,3H2,(H2,8,9);5H,2-3H2,1H3;1H.

What are the key properties of (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide?

(2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide has a molecular weight of 2321.87 g/mol, XLogP of 16.05, 12 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-bromo-3-pyridinyl)methanol;5-bromo-3-(bromomethyl)pyridin-2-amine;7-bromo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-2-one;7-bromo-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methoxy]acetate;ethyl 2-hydroxyacetate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine;7-[5-(trifluoromethyl)-3-pyridinyl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]oxazepine-1-carboxamide;7-[5-(trifluoromethyl)-3-pyridinyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine;hydrobromide is sourced from PubChem (CID 162068064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).