acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C59H68BBr2Cl4N11O7 — CID 159530748

About acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine

acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159530748) has the molecular formula C59H68BBr2Cl4N11O7 and a molecular weight of 1355.69 g/mol. Its IUPAC name is acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 159530748
• Molecular Formula: C59H68BBr2Cl4N11O7
• Molecular Weight: 1355.69 g/mol
• Exact Mass: 1351.25
• IUPAC Name: acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: CC(O)c1c(Cl)cncc1-c1cnc2c(c1)CCCN2.CC(O)c1c(Cl)cncc1-c1cnc2c(c1)CCCN2C(N)=O.CC(O)c1c(Cl)cncc1Br.CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C.CC=O.Clc1cncc(Br)c1
• InChI: InChI=1S/C16H17ClN4O2.C15H16ClN3O.C14H21BN2O2.C7H7BrClNO.C5H3BrClN.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;1-9(20)14-12(7-17-8-13(14)16)11-5-10-3-2-4-18-15(10)19-6-11;1-13(2)14(3,4)19-15(18-13)11-8-10-6-5-7-16-12(10)17-9-11;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);5-9,20H,2-4H2,1H3,(H,18,19);8-9H,5-7H2,1-4H3,(H,16,17);2-4,11H,1H3;1-3H;2H,1H3
• InChIKey: MCYRCDZNCYMOJV-UHFFFAOYSA-N
• XLogP: 12.88
• TPSA: 256.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.69
LogP ≤ 5	12.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

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;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159530748) is acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine is CC(O)c1c(Cl)cncc1-c1cnc2c(c1)CCCN2.CC(O)c1c(Cl)cncc1-c1cnc2c(c1)CCCN2C(N)=O.CC(O)c1c(Cl)cncc1Br.CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C.CC=O.Clc1cncc(Br)c1.

What is the InChIKey of acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is MCYRCDZNCYMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2.C15H16ClN3O.C14H21BN2O2.C7H7BrClNO.C5H3BrClN.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;1-9(20)14-12(7-17-8-13(14)16)11-5-10-3-2-4-18-15(10)19-6-11;1-13(2)14(3,4)19-15(18-13)11-8-10-6-5-7-16-12(10)17-9-11;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);5-9,20H,2-4H2,1H3,(H,18,19);8-9H,5-7H2,1-4H3,(H,16,17);2-4,11H,1H3;1-3H;2H,1H3.

What are the key properties of acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine?

acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1355.69 g/mol, XLogP of 12.88, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;3-bromo-5-chloropyridine;1-(3-bromo-5-chloro-4-pyridinyl)ethanol;6-[5-chloro-4-(1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;1-[3-chloro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-4-pyridinyl]ethanol;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159530748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).