5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride

C73H77BBr3Cl2F3N10O13S — CID 158255519

About 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride

5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride (PubChem CID 158255519) has the molecular formula C73H77BBr3Cl2F3N10O13S and a molecular weight of 1712.97 g/mol. Its IUPAC name is 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride.

Molecular Properties

• Compound Name: 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride
• PubChem CID: 158255519
• Molecular Formula: C73H77BBr3Cl2F3N10O13S
• Molecular Weight: 1712.97 g/mol
• Exact Mass: 1708.24
• IUPAC Name: 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride
• SMILES: CC1(C)OB(c2ccc(CN3CCOc4cc(C5CC5)cc(F)c4C3=O)nc2)OC1(C)C.CCc1ccc(Br)cn1.CS(=O)(=O)Cl.Nc1nccc(Cl)c1[N+](=O)[O-].O=C1NCCOc2cc(C3CC3)cc(F)c21.O=C1c2c(F)cc(C3CC3)cc2OCCN1Cc1ccc(Br)cn1.OCc1ccc(Br)cn1
• InChI: InChI=1S/C24H28BFN2O4.C18H16BrFN2O2.C12H12FNO2.C7H8BrN.C6H6BrNO.C5H4ClN3O2.CH3ClO2S/c1-23(2)24(3,4)32-25(31-23)17-7-8-18(27-13-17)14-28-9-10-30-20-12-16(15-5-6-15)11-19(26)21(20)22(28)29;19-13-3-4-14(21-9-13)10-22-5-6-24-16-8-12(11-1-2-11)7-15(20)17(16)18(22)23;13-9-5-8(7-1-2-7)6-10-11(9)12(15)14-3-4-16-10;1-2-7-4-3-6(8)5-9-7;7-5-1-2-6(4-9)8-3-5;6-3-1-2-8-5(7)4(3)9(10)11;1-5(2,3)4/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3;3-4,7-9,11H,1-2,5-6,10H2;5-7H,1-4H2,(H,14,15);3-5H,2H2,1H3;1-3,9H,4H2;1-2H,(H2,7,8);1H3
• InChIKey: GHFUGHFXPFXPFA-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 303.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.97
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride?

The IUPAC name of 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride (CID 158255519) is 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride.

What is the SMILES notation for 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride?

The canonical SMILES for 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride is CC1(C)OB(c2ccc(CN3CCOc4cc(C5CC5)cc(F)c4C3=O)nc2)OC1(C)C.CCc1ccc(Br)cn1.CS(=O)(=O)Cl.Nc1nccc(Cl)c1[N+](=O)[O-].O=C1NCCOc2cc(C3CC3)cc(F)c21.O=C1c2c(F)cc(C3CC3)cc2OCCN1Cc1ccc(Br)cn1.OCc1ccc(Br)cn1.

What is the InChIKey of 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride?

The InChIKey is GHFUGHFXPFXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BFN2O4.C18H16BrFN2O2.C12H12FNO2.C7H8BrN.C6H6BrNO.C5H4ClN3O2.CH3ClO2S/c1-23(2)24(3,4)32-25(31-23)17-7-8-18(27-13-17)14-28-9-10-30-20-12-16(15-5-6-15)11-19(26)21(20)22(28)29;19-13-3-4-14(21-9-13)10-22-5-6-24-16-8-12(11-1-2-11)7-15(20)17(16)18(22)23;13-9-5-8(7-1-2-7)6-10-11(9)12(15)14-3-4-16-10;1-2-7-4-3-6(8)5-9-7;7-5-1-2-6(4-9)8-3-5;6-3-1-2-8-5(7)4(3)9(10)11;1-5(2,3)4/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3;3-4,7-9,11H,1-2,5-6,10H2;5-7H,1-4H2,(H,14,15);3-5H,2H2,1H3;1-3,9H,4H2;1-2H,(H2,7,8);1H3.

What are the key properties of 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride?

5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride has a molecular weight of 1712.97 g/mol, XLogP of 14.31, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethylpyridine;(5-bromo-2-pyridinyl)methanol;4-[(5-bromo-2-pyridinyl)methyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1,4-benzoxazepin-5-one;4-chloro-3-nitropyridin-2-amine;8-cyclopropyl-6-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one;8-cyclopropyl-6-fluoro-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one;methanesulfonyl chloride is sourced from PubChem (CID 158255519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).