benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene

C198H223Cl4F3N36O — CID 158022848

About benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene

benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene (PubChem CID 158022848) has the molecular formula C198H223Cl4F3N36O and a molecular weight of 3322.02 g/mol. Its IUPAC name is benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene.

Molecular Properties

• Compound Name: benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene
• PubChem CID: 158022848
• Molecular Formula: C198H223Cl4F3N36O
• Molecular Weight: 3322.02 g/mol
• Exact Mass: 3317.72
• IUPAC Name: benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene
• SMILES: COc1ccccn1.Cc1cccc(C)n1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1C.Cc1cccnc1C.Cc1cccnc1Cl.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1cncc(Cl)c1.Cc1cncnc1C.Cc1ncccn1.Cc1ncccn1.Cc1nccnc1C.Clc1ccccn1.FC(F)(F)c1ccnc(Cl)c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2
• InChI: InChI=1S/2C9H11N.C9H7N.4C7H9N.C7H8.C6H3ClF3N.2C6H6ClN.2C6H8N2.C6H7NO.9C6H7N.C6H6.C5H4ClN.4C5H6N2.3C5H5N/c3*1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-8-7(2)5-6;2*1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;7-5-3-4(1-2-11-5)6(8,9)10;1-5-2-6(7)4-8-3-5;1-5-3-2-4-8-6(5)7;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-8-6-4-2-3-5-7-6;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;4*1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;1-5-2-3-6-4-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-2-4-6-5-3-1/h2*3,5,7H,1-2,4,6H2;1-7H;4*3-5H,1-2H3;2-6H,1H3;1-3H;2*2-4H,1H3;2*3-4H,1-2H3;2-5H,1H3;9*2-5H,1H3;1-6H;1-4H;4*2-4H,1H3;3*1-5H
• InChIKey: FGGKJMOLPJPXES-UHFFFAOYSA-N
• XLogP: 47.38
• TPSA: 473.27 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 1
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3322.02
LogP ≤ 5	47.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene?

The IUPAC name of benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene (CID 158022848) is benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene.

What is the SMILES notation for benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene?

The canonical SMILES for benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene is COc1ccccn1.Cc1cccc(C)n1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1C.Cc1cccnc1C.Cc1cccnc1Cl.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccncc1.Cc1ccncn1.Cc1cncc(Cl)c1.Cc1cncnc1C.Cc1ncccn1.Cc1ncccn1.Cc1nccnc1C.Clc1ccccn1.FC(F)(F)c1ccnc(Cl)c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCC2.

What is the InChIKey of benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene?

The InChIKey is FGGKJMOLPJPXES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C9H7N.4C7H9N.C7H8.C6H3ClF3N.2C6H6ClN.2C6H8N2.C6H7NO.9C6H7N.C6H6.C5H4ClN.4C5H6N2.3C5H5N/c3*1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-8-7(2)5-6;2*1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-7-5-3-2-4-6-7;7-5-3-4(1-2-11-5)6(8,9)10;1-5-2-6(7)4-8-3-5;1-5-3-2-4-8-6(5)7;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-8-6-4-2-3-5-7-6;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;4*1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;1-5-2-3-6-4-7-5;2*1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;3*1-2-4-6-5-3-1/h2*3,5,7H,1-2,4,6H2;1-7H;4*3-5H,1-2H3;2-6H,1H3;1-3H;2*2-4H,1H3;2*3-4H,1-2H3;2-5H,1H3;9*2-5H,1H3;1-6H;1-4H;4*2-4H,1H3;3*1-5H.

What are the key properties of benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene?

benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene has a molecular weight of 3322.02 g/mol, XLogP of 47.38, 1 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene is sourced from PubChem (CID 158022848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).