6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C46H49BBrF3N10O3 — CID 160831593

About 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 160831593) has the molecular formula C46H49BBrF3N10O3 and a molecular weight of 937.67 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 160831593
• Molecular Formula: C46H49BBrF3N10O3
• Molecular Weight: 937.67 g/mol
• Exact Mass: 936.32
• IUPAC Name: 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: Brc1cnc2c(c1)CCCN2.CC1(C)OB(c2cnccc2F)OC1(C)C.Fc1ccncc1-c1cnc2c(c1)CCCN2.NC(=O)N1CCCc2cc(-c3cnccc3F)cnc21
• InChI: InChI=1S/C14H13FN4O.C13H12FN3.C11H15BFNO2.C8H9BrN2/c15-12-3-4-17-8-11(12)10-6-9-2-1-5-19(14(16)20)13(9)18-7-10;14-12-3-5-15-8-11(12)10-6-9-2-1-4-16-13(9)17-7-10;1-10(2)11(3,4)16-12(15-10)8-7-14-6-5-9(8)13;9-7-4-6-2-1-3-10-8(6)11-5-7/h3-4,6-8H,1-2,5H2,(H2,16,20);3,5-8H,1-2,4H2,(H,16,17);5-7H,1-4H3;4-5H,1-3H2,(H,10,11)
• InChIKey: SGWDGCZCJMZDFH-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 166.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.67
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 160831593) is 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Brc1cnc2c(c1)CCCN2.CC1(C)OB(c2cnccc2F)OC1(C)C.Fc1ccncc1-c1cnc2c(c1)CCCN2.NC(=O)N1CCCc2cc(-c3cnccc3F)cnc21.

What is the InChIKey of 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is SGWDGCZCJMZDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O.C13H12FN3.C11H15BFNO2.C8H9BrN2/c15-12-3-4-17-8-11(12)10-6-9-2-1-5-19(14(16)20)13(9)18-7-10;14-12-3-5-15-8-11(12)10-6-9-2-1-4-16-13(9)17-7-10;1-10(2)11(3,4)16-12(15-10)8-7-14-6-5-9(8)13;9-7-4-6-2-1-3-10-8(6)11-5-7/h3-4,6-8H,1-2,5H2,(H2,16,20);3,5-8H,1-2,4H2,(H,16,17);5-7H,1-4H3;4-5H,1-3H2,(H,10,11).

What are the key properties of 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 937.67 g/mol, XLogP of 8.48, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;6-(4-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-(4-fluoro-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 160831593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).