3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C73H77BBrF12N13O7 — CID 158548142

About 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 158548142) has the molecular formula C73H77BBrF12N13O7 and a molecular weight of 1567.19 g/mol. Its IUPAC name is 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 158548142
• Molecular Formula: C73H77BBrF12N13O7
• Molecular Weight: 1567.19 g/mol
• Exact Mass: 1565.52
• IUPAC Name: 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3C(F)(F)F)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.FC(F)(F)c1ccncc1-c1cnc2c(c1)CCCN2.FC(F)(F)c1ccncc1Br.NC(=O)N1CCCc2cc(-c3cnccc3C(F)(F)F)cnc21
• InChI: InChI=1S/C19H29BN2O4.C19H20F3N3O2.C15H13F3N4O.C14H12F3N3.C6H3BrF3N/c1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-18(2,3)27-17(26)25-8-4-5-12-9-13(10-24-16(12)25)14-11-23-7-6-15(14)19(20,21)22;16-15(17,18)12-3-4-20-8-11(12)10-6-9-2-1-5-22(14(19)23)13(9)21-7-10;15-14(16,17)12-3-5-18-8-11(12)10-6-9-2-1-4-19-13(9)20-7-10;7-5-3-11-2-1-4(5)6(8,9)10/h11-12H,8-10H2,1-7H3;6-7,9-11H,4-5,8H2,1-3H3;3-4,6-8H,1-2,5H2,(H2,19,23);3,5-8H,1-2,4H2,(H,19,20);1-3H
• InChIKey: HPJQXWXFDMVXHW-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 239.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.19
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 158548142) is 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

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

The canonical SMILES for 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC(C)(C)OC(=O)N1CCCc2cc(-c3cnccc3C(F)(F)F)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.FC(F)(F)c1ccncc1-c1cnc2c(c1)CCCN2.FC(F)(F)c1ccncc1Br.NC(=O)N1CCCc2cc(-c3cnccc3C(F)(F)F)cnc21.

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

The InChIKey is HPJQXWXFDMVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BN2O4.C19H20F3N3O2.C15H13F3N4O.C14H12F3N3.C6H3BrF3N/c1-17(2,3)24-16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-25-18(4,5)19(6,7)26-20;1-18(2,3)27-17(26)25-8-4-5-12-9-13(10-24-16(12)25)14-11-23-7-6-15(14)19(20,21)22;16-15(17,18)12-3-4-20-8-11(12)10-6-9-2-1-5-22(14(19)23)13(9)21-7-10;15-14(16,17)12-3-5-18-8-11(12)10-6-9-2-1-4-19-13(9)20-7-10;7-5-3-11-2-1-4(5)6(8,9)10/h11-12H,8-10H2,1-7H3;6-7,9-11H,4-5,8H2,1-3H3;3-4,6-8H,1-2,5H2,(H2,19,23);3,5-8H,1-2,4H2,(H,19,20);1-3H.

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

3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1567.19 g/mol, XLogP of 17.30, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-(trifluoromethyl)pyridine;tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[4-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[4-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 158548142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).