4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole

C90H103Br3N12O2 — CID 162235668

About 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole

4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 162235668) has the molecular formula C90H103Br3N12O2 and a molecular weight of 1624.61 g/mol. Its IUPAC name is 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 162235668
• Molecular Formula: C90H103Br3N12O2
• Molecular Weight: 1624.61 g/mol
• Exact Mass: 1620.59
• IUPAC Name: 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C=C(C)c1ccncc1.C=C(CBr)c1ccncc1.C=C(CC1(C)CN(C)CCC1=O)c1ccncc1.C=C(CC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21)c1ccncc1.CC(=O)c1ccncc1.CC(Br)(CBr)c1ccncc1.Cc1ccc2c(c1)c1c3n2CC(c2ccncc2)CC3(C)CN(C)C1
• InChI: InChI=1S/2C22H25N3.C15H20N2O.C8H9Br2N.C8H8BrN.C8H9N.C7H7NO/c1-15-4-5-20-18(10-15)19-13-24(3)14-22(2)11-17(12-25(20)21(19)22)16-6-8-23-9-7-16;1-15-5-6-20-18(11-15)19-13-25(4)14-22(3,21(19)24-20)12-16(2)17-7-9-23-10-8-17;1-12(13-4-7-16-8-5-13)10-15(2)11-17(3)9-6-14(15)18;1-8(10,6-9)7-2-4-11-5-3-7;1-7(6-9)8-2-4-10-5-3-8;1-7(2)8-3-5-9-6-4-8;1-6(9)7-2-4-8-5-3-7/h4-10,17H,11-14H2,1-3H3;5-11,24H,2,12-14H2,1,3-4H3;4-5,7-8H,1,6,9-11H2,2-3H3;2-5H,6H2,1H3;2-5H,1,6H2;3-6H,1H2,2H3;2-5H,1H3
• InChIKey: ZWADYAGMBQZISP-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 154.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.61
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole (CID 162235668) is 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole is C=C(C)c1ccncc1.C=C(CBr)c1ccncc1.C=C(CC1(C)CN(C)CCC1=O)c1ccncc1.C=C(CC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21)c1ccncc1.CC(=O)c1ccncc1.CC(Br)(CBr)c1ccncc1.Cc1ccc2c(c1)c1c3n2CC(c2ccncc2)CC3(C)CN(C)C1.

What is the InChIKey of 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is ZWADYAGMBQZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25N3.C15H20N2O.C8H9Br2N.C8H8BrN.C8H9N.C7H7NO/c1-15-4-5-20-18(10-15)19-13-24(3)14-22(2)11-17(12-25(20)21(19)22)16-6-8-23-9-7-16;1-15-5-6-20-18(11-15)19-13-25(4)14-22(3,21(19)24-20)12-16(2)17-7-9-23-10-8-17;1-12(13-4-7-16-8-5-13)10-15(2)11-17(3)9-6-14(15)18;1-8(10,6-9)7-2-4-11-5-3-7;1-7(6-9)8-2-4-10-5-3-8;1-7(2)8-3-5-9-6-4-8;1-6(9)7-2-4-8-5-3-7/h4-10,17H,11-14H2,1-3H3;5-11,24H,2,12-14H2,1,3-4H3;4-5,7-8H,1,6,9-11H2,2-3H3;2-5H,6H2,1H3;2-5H,1,6H2;3-6H,1H2,2H3;2-5H,1H3.

What are the key properties of 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole?

4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1624.61 g/mol, XLogP of 20.28, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-bromoprop-1-en-2-yl)pyridine;4-(1,2-dibromopropan-2-yl)pyridine;1,3-dimethyl-3-(2-pyridin-4-ylprop-2-enyl)piperidin-4-one;4-prop-1-en-2-ylpyridine;1-pyridin-4-ylethanone;5,7,12-trimethyl-3-pyridin-4-yl-1,7-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;2,4,8-trimethyl-4-(2-pyridin-4-ylprop-2-enyl)-3,5-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 162235668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).