2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene

C161H188Br3Cl3F17N13O — CID 162038915

About 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene

2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 162038915) has the molecular formula C161H188Br3Cl3F17N13O and a molecular weight of 2990.40 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene
• PubChem CID: 162038915
• Molecular Formula: C161H188Br3Cl3F17N13O
• Molecular Weight: 2990.40 g/mol
• Exact Mass: 2984.14
• IUPAC Name: 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene
• SMILES: C.COc1nc(C)ncc1C.Cc1cc(Br)c(C)cc1F.Cc1cc(C(F)(F)F)c(C)cc1F.Cc1cc(C)c(C)c(F)c1.Cc1cc(C)c(F)cc1C.Cc1cc(Cl)c(C)cc1F.Cc1cc(F)c(C)c(Br)c1.Cc1cc(F)c(C)c(Cl)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1cc(F)c(C)cn1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nn1.Cc1cnc(C)c(F)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nn1
• InChI: InChI=1S/C9H8F4.2C9H11F.C9H12.2C8H8BrF.C8H9Br.2C8H8ClF.C8H9Cl.2C8H8F2.C8H9F.C8H10.2C7H8FN.C7H10N2O.3C6H8N2.C5H7N3.CH4/c1-5-4-8(10)6(2)3-7(5)9(11,12)13;1-6-4-8(3)9(10)5-7(6)2;1-6-4-7(2)8(3)9(10)5-6;1-7-4-5-8(2)9(3)6-7;1-5-4-8(10)6(2)3-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-5-4-8(10)6(2)3-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-5-4-9-6(2)3-7(5)8;1-5-3-7(8)6(2)9-4-5;1-5-4-8-6(2)9-7(5)10-3;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-3-6-5(2)8-7-4;/h3-4H,1-2H3;2*4-5H,1-3H3;4-6H,1-3H3;2*3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-4H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;3H,1-2H3;1H4
• InChIKey: YWZWUUIRBVHIPU-UHFFFAOYSA-N
• XLogP: 49.29
• TPSA: 176.80 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2990.40
LogP ≤ 5	49.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene (CID 162038915) is 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene is C.COc1nc(C)ncc1C.Cc1cc(Br)c(C)cc1F.Cc1cc(C(F)(F)F)c(C)cc1F.Cc1cc(C)c(C)c(F)c1.Cc1cc(C)c(F)cc1C.Cc1cc(Cl)c(C)cc1F.Cc1cc(F)c(C)c(Br)c1.Cc1cc(F)c(C)c(Cl)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1cc(F)c(C)cn1.Cc1ccc(C)c(Br)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nn1.Cc1cnc(C)c(F)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cnc(C)nn1.

What is the InChIKey of 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is YWZWUUIRBVHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4.2C9H11F.C9H12.2C8H8BrF.C8H9Br.2C8H8ClF.C8H9Cl.2C8H8F2.C8H9F.C8H10.2C7H8FN.C7H10N2O.3C6H8N2.C5H7N3.CH4/c1-5-4-8(10)6(2)3-7(5)9(11,12)13;1-6-4-8(3)9(10)5-7(6)2;1-6-4-7(2)8(3)9(10)5-6;1-7-4-5-8(2)9(3)6-7;1-5-4-8(10)6(2)3-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-5-4-8(10)6(2)3-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-5-4-9-6(2)3-7(5)8;1-5-3-7(8)6(2)9-4-5;1-5-4-8-6(2)9-7(5)10-3;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-4-3-6-5(2)8-7-4;/h3-4H,1-2H3;2*4-5H,1-3H3;4-6H,1-3H3;2*3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-4H,1-2H3;4H,1-3H3;3*3-4H,1-2H3;3H,1-2H3;1H4.

What are the key properties of 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene?

2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene has a molecular weight of 2990.40 g/mol, XLogP of 49.29, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,4-dimethylbenzene;1-bromo-3-fluoro-2,5-dimethylbenzene;1-bromo-4-fluoro-2,5-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1-chloro-3-fluoro-2,5-dimethylbenzene;1-chloro-4-fluoro-2,5-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyrimidine;3,6-dimethyl-1,2,4-triazine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;1-fluoro-2,5-dimethyl-4-(trifluoromethyl)benzene;1-fluoro-2,3,5-trimethylbenzene;1-fluoro-2,4,5-trimethylbenzene;methane;4-methoxy-2,5-dimethylpyrimidine;1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 162038915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).