benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C151H171Br2Cl3N22O7 — CID 159459904

About benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 159459904) has the molecular formula C151H171Br2Cl3N22O7 and a molecular weight of 2672.34 g/mol. Its IUPAC name is benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
• PubChem CID: 159459904
• Molecular Formula: C151H171Br2Cl3N22O7
• Molecular Weight: 2672.34 g/mol
• Exact Mass: 2667.11
• IUPAC Name: benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
• SMILES: Brc1ccc(C2CCNCC2)nc1.C1=C(c2ccc(-c3ccccc3)cn2)CNCC1.Cc1ccc(C2=CCCNC2)nc1C.Cc1ccc(C2=CCCNC2)nc1C.Cc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)nc1C.Cc1ccc(C2CCNCC2)nc1.Cl.Cl.NC(=O)c1ccc(C2CCNCC2)nc1.O=C(OCc1ccccc1)N1CC=C(c2ccc(-c3ccc(Br)cc3)cn2)CC1.O=C(OCc1ccccc1)N1CC=C(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.[C-]#[N+]c1ccc(C2CCNCC2)nc1
• InChI: InChI=1S/C24H21BrN2O2.C24H21ClN2O2.C20H22N2O2.C16H16N2.2C12H16N2.C11H15N3O.C11H13N3.C11H16N2.C10H13BrN2.2ClH/c2*25-22-9-6-19(7-10-22)21-8-11-23(26-16-21)20-12-14-27(15-13-20)24(28)29-17-18-4-2-1-3-5-18;1-15-8-9-19(21-16(15)2)18-10-12-22(13-11-18)20(23)24-14-17-6-4-3-5-7-17;1-2-5-13(6-3-1)14-8-9-16(18-12-14)15-7-4-10-17-11-15;2*1-9-5-6-12(14-10(9)2)11-4-3-7-13-8-11;12-11(15)9-1-2-10(14-7-9)8-3-5-13-6-4-8;1-12-10-2-3-11(14-8-10)9-4-6-13-7-5-9;1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8;;/h2*1-12,16H,13-15,17H2;3-10H,11-14H2,1-2H3;1-3,5-9,12,17H,4,10-11H2;2*4-6,13H,3,7-8H2,1-2H3;1-2,7-8,13H,3-6H2,(H2,12,15);2-3,8-9,13H,4-7H2;2-3,8,10,12H,4-7H2,1H3;1-2,7-8,12H,3-6H2;2*1H
• InChIKey: SKCUQLSHHGCXDN-UHFFFAOYSA-N
• XLogP: 30.92
• TPSA: 349.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.34
LogP ≤ 5	30.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?

The IUPAC name of benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 159459904) is benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is Brc1ccc(C2CCNCC2)nc1.C1=C(c2ccc(-c3ccccc3)cn2)CNCC1.Cc1ccc(C2=CCCNC2)nc1C.Cc1ccc(C2=CCCNC2)nc1C.Cc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)nc1C.Cc1ccc(C2CCNCC2)nc1.Cl.Cl.NC(=O)c1ccc(C2CCNCC2)nc1.O=C(OCc1ccccc1)N1CC=C(c2ccc(-c3ccc(Br)cc3)cn2)CC1.O=C(OCc1ccccc1)N1CC=C(c2ccc(-c3ccc(Cl)cc3)cn2)CC1.[C-]#[N+]c1ccc(C2CCNCC2)nc1.

What is the InChIKey of benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?

The InChIKey is SKCUQLSHHGCXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2.C24H21ClN2O2.C20H22N2O2.C16H16N2.2C12H16N2.C11H15N3O.C11H13N3.C11H16N2.C10H13BrN2.2ClH/c2*25-22-9-6-19(7-10-22)21-8-11-23(26-16-21)20-12-14-27(15-13-20)24(28)29-17-18-4-2-1-3-5-18;1-15-8-9-19(21-16(15)2)18-10-12-22(13-11-18)20(23)24-14-17-6-4-3-5-7-17;1-2-5-13(6-3-1)14-8-9-16(18-12-14)15-7-4-10-17-11-15;2*1-9-5-6-12(14-10(9)2)11-4-3-7-13-8-11;12-11(15)9-1-2-10(14-7-9)8-3-5-13-6-4-8;1-12-10-2-3-11(14-8-10)9-4-6-13-7-5-9;1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;11-9-1-2-10(13-7-9)8-3-5-12-6-4-8;;/h2*1-12,16H,13-15,17H2;3-10H,11-14H2,1-2H3;1-3,5-9,12,17H,4,10-11H2;2*4-6,13H,3,7-8H2,1-2H3;1-2,7-8,13H,3-6H2,(H2,12,15);2-3,8-9,13H,4-7H2;2-3,8,10,12H,4-7H2,1H3;1-2,7-8,12H,3-6H2;2*1H.

What are the key properties of benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?

benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 2672.34 g/mol, XLogP of 30.92, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[5-(4-bromophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-[5-(4-chlorophenyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;benzyl 4-(5,6-dimethyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;5-bromo-2-piperidin-4-ylpyridine;bis(2,3-dimethyl-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine);5-isocyano-2-piperidin-4-ylpyridine;5-methyl-2-piperidin-4-ylpyridine;5-phenyl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine;6-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 159459904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).