2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene

C54H51Br3Cl5F9N2 — CID 160578677

About 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene

2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene (PubChem CID 160578677) has the molecular formula C54H51Br3Cl5F9N2 and a molecular weight of 1315.97 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene
• PubChem CID: 160578677
• Molecular Formula: C54H51Br3Cl5F9N2
• Molecular Weight: 1315.97 g/mol
• Exact Mass: 1309.99
• IUPAC Name: 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene
• SMILES: CC(C)c1cc(F)c(Br)c(F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)cc(F)c1Cl.Cc1cc(Br)cc(C(F)(F)F)c1.Cc1cc(Cl)c(Br)c(Cl)c1.Cc1cc(Cl)ccn1.Cc1ncccc1Cl
• InChI: InChI=1S/C9H9BrF2.C9H9ClF2.C9H10F2.C8H6BrF3.C7H5BrCl2.2C6H6ClN/c1-5(2)6-3-7(11)9(10)8(12)4-6;1-5(2)7-3-6(11)4-8(12)9(7)10;1-6(2)7-3-8(10)5-9(11)4-7;1-5-2-6(8(10,11)12)4-7(9)3-5;1-4-2-5(9)7(8)6(10)3-4;1-5-4-6(7)2-3-8-5;1-5-6(7)3-2-4-8-5/h2*3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-3H,1H3;2*2-4H,1H3
• InChIKey: RBMIAGFDUUEIBR-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1315.97
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene?

The IUPAC name of 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene (CID 160578677) is 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene.

What is the SMILES notation for 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene?

The canonical SMILES for 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene is CC(C)c1cc(F)c(Br)c(F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)cc(F)c1Cl.Cc1cc(Br)cc(C(F)(F)F)c1.Cc1cc(Cl)c(Br)c(Cl)c1.Cc1cc(Cl)ccn1.Cc1ncccc1Cl.

What is the InChIKey of 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene?

The InChIKey is RBMIAGFDUUEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2.C9H9ClF2.C9H10F2.C8H6BrF3.C7H5BrCl2.2C6H6ClN/c1-5(2)6-3-7(11)9(10)8(12)4-6;1-5(2)7-3-6(11)4-8(12)9(7)10;1-6(2)7-3-8(10)5-9(11)4-7;1-5-2-6(8(10,11)12)4-7(9)3-5;1-4-2-5(9)7(8)6(10)3-4;1-5-4-6(7)2-3-8-5;1-5-6(7)3-2-4-8-5/h2*3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-3H,1H3;2*2-4H,1H3.

What are the key properties of 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene?

2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene has a molecular weight of 1315.97 g/mol, XLogP of 22.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,3-dichloro-5-methylbenzene;2-bromo-1,3-difluoro-5-propan-2-ylbenzene;1-bromo-3-methyl-5-(trifluoromethyl)benzene;2-chloro-1,5-difluoro-3-propan-2-ylbenzene;3-chloro-2-methylpyridine;4-chloro-2-methylpyridine;1,3-difluoro-5-propan-2-ylbenzene is sourced from PubChem (CID 160578677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).