6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C87H97BBr5F9N18O12S — CID 162279756

About 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 162279756) has the molecular formula C87H97BBr5F9N18O12S and a molecular weight of 2200.23 g/mol. Its IUPAC name is 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

• Compound Name: 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• PubChem CID: 162279756
• Molecular Formula: C87H97BBr5F9N18O12S
• Molecular Weight: 2200.23 g/mol
• Exact Mass: 2194.31
• IUPAC Name: 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)c2cc(Br)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.CC1(C)OB(c2cccnc2)OC1(C)C.CCN(CC)S(F)(F)F.FC1(F)CCNc2ncc(Br)cc21.NC(=O)N1CCC(F)(F)c2cc(-c3cccnc3)cnc21.NC(=O)N1CCC(F)(F)c2cc(Br)cnc21.O=C1CCNc2ncc(Br)cc21.O=NC(=O)c1ccccc1
• InChI: InChI=1S/C14H12F2N4O.C13H15BrN2O3.C13H17BrN2O2.C11H16BNO2.C9H8BrF2N3O.C8H7BrF2N2.C8H7BrN2O.C7H5NO2.C4H10F3NS/c15-14(16)3-5-20(13(17)21)12-11(14)6-10(8-19-12)9-2-1-4-18-7-9;1-13(2,3)19-12(18)16-5-4-10(17)9-6-8(14)7-15-11(9)16;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;10-5-3-6-7(14-4-5)15(8(13)16)2-1-9(6,11)12;9-5-3-6-7(13-4-5)12-2-1-8(6,10)11;9-5-3-6-7(12)1-2-10-8(6)11-4-5;9-7(8-10)6-4-2-1-3-5-6;1-3-8(4-2)9(5,6)7/h1-2,4,6-8H,3,5H2,(H2,17,21);6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;5-8H,1-4H3;3-4H,1-2H2,(H2,13,16);3-4H,1-2H2,(H,12,13);3-4H,1-2H2,(H,10,11);1-5H;3-4H2,1-2H3
• InChIKey: HKNCUDCRZYSBEI-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 381.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.23
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The IUPAC name of 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 162279756) is 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the SMILES notation for 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES for 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CC(C)(C)OC(=O)N1CCC(=O)c2cc(Br)cnc21.CC(C)(C)OC(=O)N1CCCc2cc(Br)cnc21.CC1(C)OB(c2cccnc2)OC1(C)C.CCN(CC)S(F)(F)F.FC1(F)CCNc2ncc(Br)cc21.NC(=O)N1CCC(F)(F)c2cc(-c3cccnc3)cnc21.NC(=O)N1CCC(F)(F)c2cc(Br)cnc21.O=C1CCNc2ncc(Br)cc21.O=NC(=O)c1ccccc1.

What is the InChIKey of 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChIKey is HKNCUDCRZYSBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O.C13H15BrN2O3.C13H17BrN2O2.C11H16BNO2.C9H8BrF2N3O.C8H7BrF2N2.C8H7BrN2O.C7H5NO2.C4H10F3NS/c15-14(16)3-5-20(13(17)21)12-11(14)6-10(8-19-12)9-2-1-4-18-7-9;1-13(2,3)19-12(18)16-5-4-10(17)9-6-8(14)7-15-11(9)16;1-13(2,3)18-12(17)16-6-4-5-9-7-10(14)8-15-11(9)16;1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9;10-5-3-6-7(14-4-5)15(8(13)16)2-1-9(6,11)12;9-5-3-6-7(13-4-5)12-2-1-8(6,10)11;9-5-3-6-7(12)1-2-10-8(6)11-4-5;9-7(8-10)6-4-2-1-3-5-6;1-3-8(4-2)9(5,6)7/h1-2,4,6-8H,3,5H2,(H2,17,21);6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;5-8H,1-4H3;3-4H,1-2H2,(H2,13,16);3-4H,1-2H2,(H,12,13);3-4H,1-2H2,(H,10,11);1-5H;3-4H2,1-2H3.

What are the key properties of 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2200.23 g/mol, XLogP of 21.72, 6 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 162279756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).