2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine

C115H102BrCl4F20N17O12 — CID 159544185

About 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine

2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 159544185) has the molecular formula C115H102BrCl4F20N17O12 and a molecular weight of 2515.86 g/mol. Its IUPAC name is 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

• Compound Name: 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine
• PubChem CID: 159544185
• Molecular Formula: C115H102BrCl4F20N17O12
• Molecular Weight: 2515.86 g/mol
• Exact Mass: 2511.55
• IUPAC Name: 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine
• SMILES: Brc1nccc2c1CCN(Cc1ccccc1)C2.CN(C)CC(=O)O.Fc1ccc(Oc2nccc3c2CCN(Cc2ccccc2)C3)c(C(F)(F)F)c1.Fc1ccc(Oc2nccc3c2CCNC3)c(C(F)(F)F)c1.O=c1[nH]ncc(N2CCc3c(ccnc3Oc3ccc(F)cc3C(F)(F)F)C2)c1Cl.O=c1c(Cl)c(Cl)cnn1C1CCCCO1.O=c1c(Cl)c(N2CCc3c(ccnc3Oc3ccc(F)cc3C(F)(F)F)C2)cnn1C1CCCCO1.Oc1ccc(F)cc1C(F)(F)F
• InChI: InChI=1S/C24H21ClF4N4O3.C22H18F4N2O.C19H13ClF4N4O2.C15H15BrN2.C15H12F4N2O.C9H10Cl2N2O2.C7H4F4O.C4H9NO2/c25-21-18(12-31-33(23(21)34)20-3-1-2-10-35-20)32-9-7-16-14(13-32)6-8-30-22(16)36-19-5-4-15(26)11-17(19)24(27,28)29;23-17-6-7-20(19(12-17)22(24,25)26)29-21-18-9-11-28(14-16(18)8-10-27-21)13-15-4-2-1-3-5-15;20-16-14(8-26-27-17(16)29)28-6-4-12-10(9-28)3-5-25-18(12)30-15-2-1-11(21)7-13(15)19(22,23)24;16-15-14-7-9-18(11-13(14)6-8-17-15)10-12-4-2-1-3-5-12;16-10-1-2-13(12(7-10)15(17,18)19)22-14-11-4-5-20-8-9(11)3-6-21-14;10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7;8-4-1-2-6(12)5(3-4)7(9,10)11;1-5(2)3-4(6)7/h4-6,8,11-12,20H,1-3,7,9-10,13H2;1-8,10,12H,9,11,13-14H2;1-3,5,7-8H,4,6,9H2,(H,27,29);1-6,8H,7,9-11H2;1-3,6-7,20H,4-5,8H2;5,7H,1-4H2;1-3,12H;3H2,1-2H3,(H,6,7)
• InChIKey: MEOYYKDGLMBLGQ-UHFFFAOYSA-N
• XLogP: 26.94
• TPSA: 321.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.86
LogP ≤ 5	26.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?

The IUPAC name of 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 159544185) is 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine.

What is the SMILES notation for 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?

The canonical SMILES for 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine is Brc1nccc2c1CCN(Cc1ccccc1)C2.CN(C)CC(=O)O.Fc1ccc(Oc2nccc3c2CCN(Cc2ccccc2)C3)c(C(F)(F)F)c1.Fc1ccc(Oc2nccc3c2CCNC3)c(C(F)(F)F)c1.O=c1[nH]ncc(N2CCc3c(ccnc3Oc3ccc(F)cc3C(F)(F)F)C2)c1Cl.O=c1c(Cl)c(Cl)cnn1C1CCCCO1.O=c1c(Cl)c(N2CCc3c(ccnc3Oc3ccc(F)cc3C(F)(F)F)C2)cnn1C1CCCCO1.Oc1ccc(F)cc1C(F)(F)F.

What is the InChIKey of 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?

The InChIKey is MEOYYKDGLMBLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF4N4O3.C22H18F4N2O.C19H13ClF4N4O2.C15H15BrN2.C15H12F4N2O.C9H10Cl2N2O2.C7H4F4O.C4H9NO2/c25-21-18(12-31-33(23(21)34)20-3-1-2-10-35-20)32-9-7-16-14(13-32)6-8-30-22(16)36-19-5-4-15(26)11-17(19)24(27,28)29;23-17-6-7-20(19(12-17)22(24,25)26)29-21-18-9-11-28(14-16(18)8-10-27-21)13-15-4-2-1-3-5-15;20-16-14(8-26-27-17(16)29)28-6-4-12-10(9-28)3-5-25-18(12)30-15-2-1-11(21)7-13(15)19(22,23)24;16-15-14-7-9-18(11-13(14)6-8-17-15)10-12-4-2-1-3-5-12;16-10-1-2-13(12(7-10)15(17,18)19)22-14-11-4-5-20-8-9(11)3-6-21-14;10-6-5-12-13(9(14)8(6)11)7-3-1-2-4-15-7;8-4-1-2-6(12)5(3-4)7(9,10)11;1-5(2)3-4(6)7/h4-6,8,11-12,20H,1-3,7,9-10,13H2;1-8,10,12H,9,11,13-14H2;1-3,5,7-8H,4,6,9H2,(H,27,29);1-6,8H,7,9-11H2;1-3,6-7,20H,4-5,8H2;5,7H,1-4H2;1-3,12H;3H2,1-2H3,(H,6,7).

What are the key properties of 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine?

2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 2515.86 g/mol, XLogP of 26.94, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine;2-benzyl-5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridine;4-chloro-5-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-(oxan-2-yl)pyridazin-3-one;5-chloro-4-[5-[4-fluoro-2-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-1H-pyridazin-6-one;4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one;2-(dimethylamino)acetic acid;4-fluoro-2-(trifluoromethyl)phenol;5-[4-fluoro-2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 159544185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).