benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline

C137H155Cl2N27O2S — CID 159931727

About benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline

benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline (PubChem CID 159931727) has the molecular formula C137H155Cl2N27O2S and a molecular weight of 2314.91 g/mol. Its IUPAC name is benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline
• PubChem CID: 159931727
• Molecular Formula: C137H155Cl2N27O2S
• Molecular Weight: 2314.91 g/mol
• Exact Mass: 2312.20
• IUPAC Name: benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline
• SMILES: COc1ccccn1.COc1ccccn1.Cc1cccc(C)n1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccncn1.Cc1cncnc1C.Cc1cscn1.Cc1ncccn1.Cc1ncccn1.Clc1cccnc1Cl.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2c(c1)CCCC2
• InChI: InChI=1S/C9H11N.C9H7N.3C7H9N.C6H8N2.2C6H7NO.5C6H7N.C6H6.C5H3Cl2N.4C5H6N2.3C5H5N.C4H5NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-8-7(2)5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-5-3-7-4-8-6(5)2;2*1-8-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;3*1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;6-4-2-1-3-8-5(4)7;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;1-4-2-6-3-5-4/h3,5,7H,1-2,4,6H2;1-7H;3*3-5H,1-2H3;3-4H,1-2H3;2*2-5H,1H3;5*2-5H,1H3;1-6H;1-3H;4*2-4H,1H3;3*1-5H;2-3H,1H3
• InChIKey: NZSNTNPXAMOCCQ-UHFFFAOYSA-N
• XLogP: 31.43
• TPSA: 366.49 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 2
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2314.91
LogP ≤ 5	31.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline?

The IUPAC name of benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline (CID 159931727) is benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline?

The canonical SMILES for benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline is COc1ccccn1.COc1ccccn1.Cc1cccc(C)n1.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1C.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccncc1.Cc1ccncn1.Cc1cncnc1C.Cc1cscn1.Cc1ncccn1.Cc1ncccn1.Clc1cccnc1Cl.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2c(c1)CCCC2.

What is the InChIKey of benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline?

The InChIKey is NZSNTNPXAMOCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C9H7N.3C7H9N.C6H8N2.2C6H7NO.5C6H7N.C6H6.C5H3Cl2N.4C5H6N2.3C5H5N.C4H5NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-4-8-7(2)5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-5-3-7-4-8-6(5)2;2*1-8-6-4-2-3-5-7-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;3*1-6-4-2-3-5-7-6;1-2-4-6-5-3-1;6-4-2-1-3-8-5(4)7;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;1-4-2-6-3-5-4/h3,5,7H,1-2,4,6H2;1-7H;3*3-5H,1-2H3;3-4H,1-2H3;2*2-5H,1H3;5*2-5H,1H3;1-6H;1-3H;4*2-4H,1H3;3*1-5H;2-3H,1H3.

What are the key properties of benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline?

benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline has a molecular weight of 2314.91 g/mol, XLogP of 31.43, 2 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2,3-dichloropyridine;2,3-dimethylpyridine;2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;bis(2-methoxypyridine);3-methylpyridazine;tris(2-methylpyridine);3-methylpyridine;4-methylpyridine;bis(2-methylpyrimidine);4-methylpyrimidine;4-methyl-1,3-thiazole;tris(pyridine);quinoline;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159931727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).