1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene

C164H195ClF9N7O5 — CID 161321850

About 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene

1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene (PubChem CID 161321850) has the molecular formula C164H195ClF9N7O5 and a molecular weight of 2550.84 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene.

Molecular Properties

• Compound Name: 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene
• PubChem CID: 161321850
• Molecular Formula: C164H195ClF9N7O5
• Molecular Weight: 2550.84 g/mol
• Exact Mass: 2548.48
• IUPAC Name: 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene
• SMILES: CCc1cccc(C)c1.COc1cc(C)ccc1F.COc1cc(C)ccc1F.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1cccc(C)c1.Cc1cc(C)c(C)cn1.Cc1cc(C)c(F)c(C)c1.Cc1cc(C)c(F)cn1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)n1.Cc1ccc(C)nc1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)n1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1cccc(C#N)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1ccccc1
• InChI: InChI=1S/C9H11F.C9H12O.2C9H12.2C8H9FO.2C8H9F.2C8H11N.C8H7N.2C8H10O.C8H10.C7H7Cl.2C7H8FN.C7H7F.C7H9N.C7H8.C6H6FN/c1-6-4-7(2)9(10)8(3)5-6;1-7-4-5-9(10-3)8(2)6-7;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-5-8(2)7-9;2*1-6-3-4-7(9)8(5-6)10-2;2*1-6-3-4-8(9)7(2)5-6;1-6-4-8(3)9-5-7(6)2;1-6-4-5-7(2)9-8(6)3;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-3-6(2)9-4-7(5)8;1-5-3-4-7(8)6(2)9-5;1-6-2-4-7(8)5-3-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5/h4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2*3-5H,1-2H3;2*3-5H,1-2H3;2*4-5H,1-3H3;2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3
• InChIKey: VKGBQSIQHDOXAG-UHFFFAOYSA-N
• XLogP: 45.27
• TPSA: 147.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2550.84
LogP ≤ 5	45.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene?

The IUPAC name of 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene (CID 161321850) is 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene.

What is the SMILES notation for 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene?

The canonical SMILES for 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene is CCc1cccc(C)c1.COc1cc(C)ccc1F.COc1cc(C)ccc1F.COc1ccc(C)cc1.COc1ccc(C)cc1C.COc1cccc(C)c1.Cc1cc(C)c(C)cn1.Cc1cc(C)c(F)c(C)c1.Cc1cc(C)c(F)cn1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)n1.Cc1ccc(C)nc1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)c1.Cc1ccc(F)c(C)n1.Cc1ccc(F)cc1.Cc1ccc(F)cn1.Cc1cccc(C#N)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1ccccc1.

What is the InChIKey of 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene?

The InChIKey is VKGBQSIQHDOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C9H12O.2C9H12.2C8H9FO.2C8H9F.2C8H11N.C8H7N.2C8H10O.C8H10.C7H7Cl.2C7H8FN.C7H7F.C7H9N.C7H8.C6H6FN/c1-6-4-7(2)9(10)8(3)5-6;1-7-4-5-9(10-3)8(2)6-7;1-7-4-5-8(2)9(3)6-7;1-3-9-6-4-5-8(2)7-9;2*1-6-3-4-7(9)8(5-6)10-2;2*1-6-3-4-8(9)7(2)5-6;1-6-4-8(3)9-5-7(6)2;1-6-4-5-7(2)9-8(6)3;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-3-6(2)9-4-7(5)8;1-5-3-4-7(8)6(2)9-5;1-6-2-4-7(8)5-3-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-8-5/h4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2*3-5H,1-2H3;2*3-5H,1-2H3;2*4-5H,1-3H3;2-5H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;2-5H,1H3;3-5H,1-2H3;2-6H,1H3;2-4H,1H3.

What are the key properties of 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene?

1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene has a molecular weight of 2550.84 g/mol, XLogP of 45.27, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-methylbenzene;2,5-dimethylpyridine;1-ethyl-3-methylbenzene;bis(1-fluoro-2,4-dimethylbenzene);3-fluoro-2,6-dimethylpyridine;5-fluoro-2,4-dimethylpyridine;bis(1-fluoro-2-methoxy-4-methylbenzene);1-fluoro-4-methylbenzene;5-fluoro-2-methylpyridine;2-fluoro-1,3,5-trimethylbenzene;1-methoxy-2,4-dimethylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylbenzonitrile;toluene;1,2,4-trimethylbenzene;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,3-xylene is sourced from PubChem (CID 161321850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).