acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C124H166B4Br4ClN19O21 — CID 158704384

About acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158704384) has the molecular formula C124H166B4Br4ClN19O21 and a molecular weight of 2657.12 g/mol. Its IUPAC name is acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158704384
• Molecular Formula: C124H166B4Br4ClN19O21
• Molecular Weight: 2657.12 g/mol
• Exact Mass: 2651.93
• IUPAC Name: acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cnc2c(c1)CCCN2.C1CCOCC1.CC(=O)Cl.CC(=O)N1CCCc2cc(-c3cncc(CC(=O)N4CCOCC4)c3)cnc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C.O=C(Cc1cncc(-c2cnc3c(c2)CCCN3)c1)N1CCOCC1.O=C(Cc1cncc(Br)c1)N1CCOCC1.O=C(Cc1cncc(Br)c1)N1CCOCC1.O=C(O)Cc1cncc(Br)c1
• InChI: InChI=1S/C21H24N4O3.C19H22N4O2.2C14H21BN2O2.C12H24B2O4.2C11H13BrN2O2.C8H9BrN2.C7H6BrNO2.C5H10O.C2H3ClO/c1-15(26)25-4-2-3-17-11-19(14-23-21(17)25)18-9-16(12-22-13-18)10-20(27)24-5-7-28-8-6-24;24-18(23-4-6-25-7-5-23)9-14-8-16(12-20-11-14)17-10-15-2-1-3-21-19(15)22-13-17;2*1-13(2)14(3,4)19-15(18-13)11-8-10-6-5-7-16-12(10)17-9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*12-10-5-9(7-13-8-10)6-11(15)14-1-3-16-4-2-14;9-7-4-6-2-1-3-10-8(6)11-5-7;8-6-1-5(2-7(10)11)3-9-4-6;1-2-4-6-5-3-1;1-2(3)4/h9,11-14H,2-8,10H2,1H3;8,10-13H,1-7,9H2,(H,21,22);2*8-9H,5-7H2,1-4H3,(H,16,17);1-8H3;2*5,7-8H,1-4,6H2;4-5H,1-3H2,(H,10,11);1,3-4H,2H2,(H,10,11);1-5H2;1H3
• InChIKey: IHXYPIXJIHFBDJ-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 452.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2657.12
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158704384) is acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cnc2c(c1)CCCN2.C1CCOCC1.CC(=O)Cl.CC(=O)N1CCCc2cc(-c3cncc(CC(=O)N4CCOCC4)c3)cnc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C.O=C(Cc1cncc(-c2cnc3c(c2)CCCN3)c1)N1CCOCC1.O=C(Cc1cncc(Br)c1)N1CCOCC1.O=C(Cc1cncc(Br)c1)N1CCOCC1.O=C(O)Cc1cncc(Br)c1.

What is the InChIKey of acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is IHXYPIXJIHFBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.C19H22N4O2.2C14H21BN2O2.C12H24B2O4.2C11H13BrN2O2.C8H9BrN2.C7H6BrNO2.C5H10O.C2H3ClO/c1-15(26)25-4-2-3-17-11-19(14-23-21(17)25)18-9-16(12-22-13-18)10-20(27)24-5-7-28-8-6-24;24-18(23-4-6-25-7-5-23)9-14-8-16(12-20-11-14)17-10-15-2-1-3-21-19(15)22-13-17;2*1-13(2)14(3,4)19-15(18-13)11-8-10-6-5-7-16-12(10)17-9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*12-10-5-9(7-13-8-10)6-11(15)14-1-3-16-4-2-14;9-7-4-6-2-1-3-10-8(6)11-5-7;8-6-1-5(2-7(10)11)3-9-4-6;1-2-4-6-5-3-1;1-2(3)4/h9,11-14H,2-8,10H2,1H3;8,10-13H,1-7,9H2,(H,21,22);2*8-9H,5-7H2,1-4H3,(H,16,17);1-8H3;2*5,7-8H,1-4,6H2;4-5H,1-3H2,(H,10,11);1,3-4H,2H2,(H,10,11);1-5H2;1H3.

What are the key properties of acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2657.12 g/mol, XLogP of 17.60, 15 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;2-[5-(8-acetyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)-3-pyridinyl]-1-morpholin-4-ylethanone;2-(5-bromo-3-pyridinyl)acetic acid;bis(2-(5-bromo-3-pyridinyl)-1-morpholin-4-ylethanone);6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;1-morpholin-4-yl-2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]ethanone;oxane;bis(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158704384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).