3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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

C50H66BBr2N9O7 — CID 160776615

About 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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

3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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 (PubChem CID 160776615) has the molecular formula C50H66BBr2N9O7 and a molecular weight of 1075.75 g/mol. Its IUPAC name is 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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.

Molecular Properties

• Compound Name: 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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
• PubChem CID: 160776615
• Molecular Formula: C50H66BBr2N9O7
• Molecular Weight: 1075.75 g/mol
• Exact Mass: 1073.35
• IUPAC Name: 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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
• SMILES: CC(C)(O)c1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.COC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.COC(C)(C)c1cncc(Br)c1
• InChI: InChI=1S/C18H22N4O2.C15H22BN3O3.C9H12BrNO.C8H10BrNO/c1-18(2,24-3)15-8-14(9-20-11-15)13-7-12-5-4-6-22(17(19)23)16(12)21-10-13;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(2,12-3)7-4-8(10)6-11-5-7;1-8(2,11)6-3-7(9)5-10-4-6/h7-11H,4-6H2,1-3H3,(H2,19,23);8-9H,5-7H2,1-4H3,(H2,17,20);4-6H,1-3H3;3-5,11H,1-2H3
• InChIKey: SAAIGGNSAWXTPX-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 214.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.75
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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?

The IUPAC name of 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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 (CID 160776615) is 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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.

What is the SMILES notation for 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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?

The canonical SMILES for 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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 is CC(C)(O)c1cncc(Br)c1.CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.COC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.COC(C)(C)c1cncc(Br)c1.

What is the InChIKey of 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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?

The InChIKey is SAAIGGNSAWXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.C15H22BN3O3.C9H12BrNO.C8H10BrNO/c1-18(2,24-3)15-8-14(9-20-11-15)13-7-12-5-4-6-22(17(19)23)16(12)21-10-13;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(2,12-3)7-4-8(10)6-11-5-7;1-8(2,11)6-3-7(9)5-10-4-6/h7-11H,4-6H2,1-3H3,(H2,19,23);8-9H,5-7H2,1-4H3,(H2,17,20);4-6H,1-3H3;3-5,11H,1-2H3.

What are the key properties of 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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?

3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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 has a molecular weight of 1075.75 g/mol, XLogP of 8.87, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2-methoxypropan-2-yl)pyridine;2-(5-bromo-3-pyridinyl)propan-2-ol;6-[5-(2-methoxypropan-2-yl)-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 is sourced from PubChem (CID 160776615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).