3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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

C51H69BBr2N10O8S2 — CID 159908506

About 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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 159908506) has the molecular formula C51H69BBr2N10O8S2 and a molecular weight of 1184.93 g/mol. Its IUPAC name is 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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: 159908506
• Molecular Formula: C51H69BBr2N10O8S2
• Molecular Weight: 1184.93 g/mol
• Exact Mass: 1182.32
• IUPAC Name: 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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: CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CCS(=O)(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CCS(=O)(=O)C[C@H](C)c1cncc(Br)c1.C[C@@H](N)c1cncc(Br)c1
• InChI: InChI=1S/C19H24N4O3S.C15H22BN3O3.C10H14BrNO2S.C7H9BrN2/c1-3-27(25,26)12-13(2)15-8-16(10-21-9-15)17-7-14-5-4-6-23(19(20)24)18(14)22-11-17;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;1-3-15(13,14)7-8(2)9-4-10(11)6-12-5-9;1-5(9)6-2-7(8)4-10-3-6/h7-11,13H,3-6,12H2,1-2H3,(H2,20,24);8-9H,5-7H2,1-4H3,(H2,17,20);4-6,8H,3,7H2,1-2H3;2-5H,9H2,1H3/t13-;;8-;5-/m0.01/s1
• InChIKey: NWWNDXPEBIAMCD-HWIFKXHBSA-N
• XLogP: 7.97
• TPSA: 269.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.93
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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 159908506) is 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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 CC1(C)OB(c2cnc3c(c2)CCCN3C(N)=O)OC1(C)C.CCS(=O)(=O)C[C@H](C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.CCS(=O)(=O)C[C@H](C)c1cncc(Br)c1.C[C@@H](N)c1cncc(Br)c1.

What is the InChIKey of 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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 NWWNDXPEBIAMCD-HWIFKXHBSA-N. The full InChI is InChI=1S/C19H24N4O3S.C15H22BN3O3.C10H14BrNO2S.C7H9BrN2/c1-3-27(25,26)12-13(2)15-8-16(10-21-9-15)17-7-14-5-4-6-23(19(20)24)18(14)22-11-17;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;1-3-15(13,14)7-8(2)9-4-10(11)6-12-5-9;1-5(9)6-2-7(8)4-10-3-6/h7-11,13H,3-6,12H2,1-2H3,(H2,20,24);8-9H,5-7H2,1-4H3,(H2,17,20);4-6,8H,3,7H2,1-2H3;2-5H,9H2,1H3/t13-;;8-;5-/m0.01/s1.

What are the key properties of 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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 1184.93 g/mol, XLogP of 7.97, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-[(2R)-1-ethylsulfonylpropan-2-yl]pyridine;(1R)-1-(5-bromo-3-pyridinyl)ethanamine;6-[5-[(2R)-1-ethylsulfonylpropan-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 159908506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).