3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate

C117H128Br6ClF5N10O22 — CID 158035559

About 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate

3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate (PubChem CID 158035559) has the molecular formula C117H128Br6ClF5N10O22 and a molecular weight of 2636.23 g/mol. Its IUPAC name is 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate
• PubChem CID: 158035559
• Molecular Formula: C117H128Br6ClF5N10O22
• Molecular Weight: 2636.23 g/mol
• Exact Mass: 2628.39
• IUPAC Name: 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate
• SMILES: C=CCBr.C=CCN(C(=O)CC(=O)OCC)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=CCN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=CCNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=CCn1c(=O)c(C(=O)OCC)c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)Cl
• InChI: InChI=1S/C24H26BrFN2O5.C24H28BrFN2O4.C21H18BrFN2O4.C21H24BrFN2O4.C19H20BrFN2O2.C5H7ClO3.C3H5Br/c1-5-11-28(19(29)13-20(30)32-6-2)23-21(25)17(12-16-7-9-18(26)10-8-16)14-27-22(23)24(31)33-15(3)4;1-7-12-28(23(30)32-24(4,5)6)21-19(25)17(13-16-8-10-18(26)11-9-16)14-27-20(21)22(29)31-15(2)3;1-3-9-25-18-16(22)13(10-12-5-7-14(23)8-6-12)11-24-17(18)19(26)15(20(25)27)21(28)29-4-2;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;1-4-9-22-17-16(20)14(10-13-5-7-15(21)8-6-13)11-23-18(17)19(24)25-12(2)3;1-2-9-5(8)3-4(6)7;1-2-3-4/h5,7-10,14-15H,1,6,11-13H2,2-4H3;7-11,14-15H,1,12-13H2,2-6H3;3,5-8,11,26H,1,4,9-10H2,2H3;6-9,11-12H,10H2,1-5H3,(H,25,27);4-8,11-12,22H,1,9-10H2,2-3H3;2-3H2,1H3;2H,1,3H2
• InChIKey: FHRYHWWOBADTOB-UHFFFAOYSA-N
• XLogP: 27.13
• TPSA: 408.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 39
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.23
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate?

The IUPAC name of 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate (CID 158035559) is 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate.

What is the SMILES notation for 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate?

The canonical SMILES for 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate is C=CCBr.C=CCN(C(=O)CC(=O)OCC)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=CCN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=CCNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=CCn1c(=O)c(C(=O)OCC)c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)Cl.

What is the InChIKey of 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate?

The InChIKey is FHRYHWWOBADTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrFN2O5.C24H28BrFN2O4.C21H18BrFN2O4.C21H24BrFN2O4.C19H20BrFN2O2.C5H7ClO3.C3H5Br/c1-5-11-28(19(29)13-20(30)32-6-2)23-21(25)17(12-16-7-9-18(26)10-8-16)14-27-22(23)24(31)33-15(3)4;1-7-12-28(23(30)32-24(4,5)6)21-19(25)17(13-16-8-10-18(26)11-9-16)14-27-20(21)22(29)31-15(2)3;1-3-9-25-18-16(22)13(10-12-5-7-14(23)8-6-12)11-24-17(18)19(26)15(20(25)27)21(28)29-4-2;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;1-4-9-22-17-16(20)14(10-13-5-7-15(21)8-6-13)11-23-18(17)19(24)25-12(2)3;1-2-9-5(8)3-4(6)7;1-2-3-4/h5,7-10,14-15H,1,6,11-13H2,2-4H3;7-11,14-15H,1,12-13H2,2-6H3;3,5-8,11,26H,1,4,9-10H2,2H3;6-9,11-12H,10H2,1-5H3,(H,25,27);4-8,11-12,22H,1,9-10H2,2-3H3;2-3H2,1H3;2H,1,3H2.

What are the key properties of 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate?

3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate has a molecular weight of 2636.23 g/mol, XLogP of 27.13, 39 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate is sourced from PubChem (CID 158035559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).