acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C87H108B3Br6F6N15O15 — CID 159256060

About acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159256060) has the molecular formula C87H108B3Br6F6N15O15 and a molecular weight of 2229.76 g/mol. Its IUPAC name is acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;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: acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159256060
• Molecular Formula: C87H108B3Br6F6N15O15
• Molecular Weight: 2229.76 g/mol
• Exact Mass: 2223.34
• IUPAC Name: acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(O)c1c(F)cncc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CC=O.C[C@@H](O)c1c(F)cncc1-c1cnc2c(c1)CCCN2C(N)=O.C[C@@H](O)c1c(F)cncc1Br.C[C@@H](O)c1c(F)cncc1Br.C[C@H](O)c1c(F)cncc1Br.Fc1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21
• InChI: InChI=1S/C16H17FN4O2.C15H22BN3O3.C12H24B2O4.C9H10BrN3O.4C7H7BrFNO.C5H3BrFN.C2H4O/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7;4*1-4(11)7-5(8)2-10-3-6(7)9;6-4-1-5(7)3-8-2-4;1-2-3/h5-9,22H,2-4H2,1H3,(H2,18,23);8-9H,5-7H2,1-4H3,(H2,17,20);1-8H3;4-5H,1-3H2,(H2,11,14);4*2-4,11H,1H3;1-3H;2H,1H3/t9-;;;;3*4-;;;/m1...110.../s1
• InChIKey: KVXIREBGZAUKHN-SDMGSURCSA-N
• XLogP: 17.64
• TPSA: 428.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.76
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;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 acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159256060) is acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;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 acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;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 acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(O)c1c(F)cncc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CC=O.C[C@@H](O)c1c(F)cncc1-c1cnc2c(c1)CCCN2C(N)=O.C[C@@H](O)c1c(F)cncc1Br.C[C@@H](O)c1c(F)cncc1Br.C[C@H](O)c1c(F)cncc1Br.Fc1cncc(Br)c1.NC(=O)N1CCCc2cc(Br)cnc21.

What is the InChIKey of acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is KVXIREBGZAUKHN-SDMGSURCSA-N. The full InChI is InChI=1S/C16H17FN4O2.C15H22BN3O3.C12H24B2O4.C9H10BrN3O.4C7H7BrFNO.C5H3BrFN.C2H4O/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11;1-14(2)15(3,4)22-16(21-14)11-8-10-6-5-7-19(13(17)20)12(10)18-9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-4-6-2-1-3-13(9(11)14)8(6)12-5-7;4*1-4(11)7-5(8)2-10-3-6(7)9;6-4-1-5(7)3-8-2-4;1-2-3/h5-9,22H,2-4H2,1H3,(H2,18,23);8-9H,5-7H2,1-4H3,(H2,17,20);1-8H3;4-5H,1-3H2,(H2,11,14);4*2-4,11H,1H3;1-3H;2H,1H3/t9-;;;;3*4-;;;/m1...110.../s1.

What are the key properties of acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;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 2229.76 g/mol, XLogP of 17.64, 8 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-bromo-5-fluoropyridine;bis((1R)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol);(1S)-1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;1-(3-bromo-5-fluoro-4-pyridinyl)ethanol;6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;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 159256060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).