2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde

C146H134Cl5N17O13 — CID 158121181

About 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde

2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde (PubChem CID 158121181) has the molecular formula C146H134Cl5N17O13 and a molecular weight of 2512.05 g/mol. Its IUPAC name is 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde.

Molecular Properties

• Compound Name: 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde
• PubChem CID: 158121181
• Molecular Formula: C146H134Cl5N17O13
• Molecular Weight: 2512.05 g/mol
• Exact Mass: 2507.88
• IUPAC Name: 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde
• SMILES: C[C@H](N)Cc1c[nH]c2ccccc12.C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1.C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1C(=O)CCl.C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1C(=O)CCl.C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1C(=O)CCl.Nc1ccccn1.O=C(Cl)CCl.O=Cc1ccc(C(=O)Cc2ccccn2)cc1.O=Cc1ccc(C(=O)O)cc1
• InChI: InChI=1S/3C27H24ClN3O2.C25H23N3O.C14H11NO2.C11H14N2.C8H6O3.C5H6N2.C2H2Cl2O/c3*1-17-14-22-21-7-2-3-8-23(21)30-26(22)27(31(17)25(33)16-28)19-11-9-18(10-12-19)24(32)15-20-6-4-5-13-29-20;1-16-14-21-20-7-2-3-8-22(20)28-25(21)24(27-16)18-11-9-17(10-12-18)23(29)15-19-6-4-5-13-26-19;16-10-11-4-6-12(7-5-11)14(17)9-13-3-1-2-8-15-13;1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;9-5-6-1-3-7(4-2-6)8(10)11;6-5-3-1-2-4-7-5;3-1-2(4)5/h3*2-13,17,27,30H,14-16H2,1H3;2-13,16,24,27-28H,14-15H2,1H3;1-8,10H,9H2;2-5,7-8,13H,6,12H2,1H3;1-5H,(H,10,11);1-4H,(H2,6,7);1H2/t2*17-,27+;17-,27-;16-,24+;;8-;;;/m0000.0.../s1
• InChIKey: FRPVQAIUXOYMAV-YVGIPBIWSA-N
• XLogP: 27.11
• TPSA: 455.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2512.05
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde?

The IUPAC name of 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde (CID 158121181) is 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde.

What is the SMILES notation for 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde?

The canonical SMILES for 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde is C[C@H](N)Cc1c[nH]c2ccccc12.C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1.C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1C(=O)CCl.C[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1C(=O)CCl.C[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)Cc3ccccn3)cc2)N1C(=O)CCl.Nc1ccccn1.O=C(Cl)CCl.O=Cc1ccc(C(=O)Cc2ccccn2)cc1.O=Cc1ccc(C(=O)O)cc1.

What is the InChIKey of 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde?

The InChIKey is FRPVQAIUXOYMAV-YVGIPBIWSA-N. The full InChI is InChI=1S/3C27H24ClN3O2.C25H23N3O.C14H11NO2.C11H14N2.C8H6O3.C5H6N2.C2H2Cl2O/c3*1-17-14-22-21-7-2-3-8-23(21)30-26(22)27(31(17)25(33)16-28)19-11-9-18(10-12-19)24(32)15-20-6-4-5-13-29-20;1-16-14-21-20-7-2-3-8-22(20)28-25(21)24(27-16)18-11-9-17(10-12-18)23(29)15-19-6-4-5-13-26-19;16-10-11-4-6-12(7-5-11)14(17)9-13-3-1-2-8-15-13;1-8(12)6-9-7-13-11-5-3-2-4-10(9)11;9-5-6-1-3-7(4-2-6)8(10)11;6-5-3-1-2-4-7-5;3-1-2(4)5/h3*2-13,17,27,30H,14-16H2,1H3;2-13,16,24,27-28H,14-15H2,1H3;1-8,10H,9H2;2-5,7-8,13H,6,12H2,1H3;1-5H,(H,10,11);1-4H,(H2,6,7);1H2/t2*17-,27+;17-,27-;16-,24+;;8-;;;/m0000.0.../s1.

What are the key properties of 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde?

2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde has a molecular weight of 2512.05 g/mol, XLogP of 27.11, 28 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloroacetyl chloride;bis(1-[4-[(1R,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone);1-[4-[(1S,3S)-2-(2-chloroacetyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;4-formylbenzoic acid;(2S)-1-(1H-indol-3-yl)propan-2-amine;1-[4-[(1R,3S)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]-2-pyridin-2-ylethanone;pyridin-2-amine;4-(2-pyridin-2-ylacetyl)benzaldehyde is sourced from PubChem (CID 158121181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).