1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine

C125H115Br2Cl4F26I2N3O3 — CID 159612436

About 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine

1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 159612436) has the molecular formula C125H115Br2Cl4F26I2N3O3 and a molecular weight of 2756.69 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine
• PubChem CID: 159612436
• Molecular Formula: C125H115Br2Cl4F26I2N3O3
• Molecular Weight: 2756.69 g/mol
• Exact Mass: 2751.37
• IUPAC Name: 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine
• SMILES: Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1Br.Cc1c(F)cccc1C(F)(F)F.Cc1c(F)cccc1Cl.Cc1c(F)cccc1F.Cc1c(F)cccc1I.Cc1cccc(C)c1C(F)(F)F.Cc1ccccc1Br.Cc1ccccc1C(F)(F)F.Cc1ccccc1C(F)F.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccc1I.Cc1ccccc1OC(F)(F)F.Cc1ccccc1[N+](=O)[O-].Cc1cccnc1C(F)(F)F.Cc1cccnc1C(F)F
• InChI: InChI=1S/C9H9F3.C8H6F4.C8H7F3O.C8H7F3.C8H8F2.C7H6BrF.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl.C7H6F3N.C7H7F2N.C7H6F2.C7H6FI.C7H7F.C7H7I.C7H7NO2/c1-6-4-3-5-7(2)8(6)9(10,11)12;1-5-6(8(10,11)12)3-2-4-7(5)9;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;2*1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-3-2-4-11-6(5)7(8,9)10;1-5-3-2-4-10-6(5)7(8)9;2*1-5-6(8)3-2-4-7(5)9;2*1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-7(6)8(9)10/h3-5H,1-2H3;2-4H,1H3;2-5H,1H3;2-5H,1H3;2-5,8H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;2-4H,1H3;2-4,7H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-5H,1H3
• InChIKey: MMWDZVRJHBLSKR-UHFFFAOYSA-N
• XLogP: 46.09
• TPSA: 78.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2756.69
LogP ≤ 5	46.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine (CID 159612436) is 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine is Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1Br.Cc1c(F)cccc1C(F)(F)F.Cc1c(F)cccc1Cl.Cc1c(F)cccc1F.Cc1c(F)cccc1I.Cc1cccc(C)c1C(F)(F)F.Cc1ccccc1Br.Cc1ccccc1C(F)(F)F.Cc1ccccc1C(F)F.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccc1I.Cc1ccccc1OC(F)(F)F.Cc1ccccc1[N+](=O)[O-].Cc1cccnc1C(F)(F)F.Cc1cccnc1C(F)F.

What is the InChIKey of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine?

The InChIKey is MMWDZVRJHBLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C8H6F4.C8H7F3O.C8H7F3.C8H8F2.C7H6BrF.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl.C7H6F3N.C7H7F2N.C7H6F2.C7H6FI.C7H7F.C7H7I.C7H7NO2/c1-6-4-3-5-7(2)8(6)9(10,11)12;1-5-6(8(10,11)12)3-2-4-7(5)9;1-6-4-2-3-5-7(6)12-8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;2*1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-3-2-4-11-6(5)7(8,9)10;1-5-3-2-4-10-6(5)7(8)9;2*1-5-6(8)3-2-4-7(5)9;2*1-6-4-2-3-5-7(6)8;1-6-4-2-3-5-7(6)8(9)10/h3-5H,1-2H3;2-4H,1H3;2-5H,1H3;2-5H,1H3;2-5,8H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2-5H,1H3;2-4H,1H3;2-4,7H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-5H,1H3.

What are the key properties of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine?

1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 2756.69 g/mol, XLogP of 46.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;1,3-dimethyl-2-(trifluoromethyl)benzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159612436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).