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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C74H73Br3Cl5F15N2 — CID 157305267

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 157305267) has the molecular formula C74H73Br3Cl5F15N2 and a molecular weight of 1692.36 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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
• PubChem CID: 157305267
• Molecular Formula: C74H73Br3Cl5F15N2
• Molecular Weight: 1692.36 g/mol
• Exact Mass: 1686.15
• 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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
• SMILES: CC(C)c1cc(F)c(Br)c(F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)cc(F)c1Cl.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1C(F)(F)F.Cc1cc(Br)cc(C(F)(F)F)c1.Cc1cc(Cl)c(Br)c(Cl)c1.Cc1cc(Cl)ccn1.Cc1ncccc1Cl
• InChI: InChI=1S/2C10H11F3.C9H9BrF2.C9H9ClF2.C9H10F2.C8H6BrF3.C7H5BrCl2.2C6H6ClN/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-5(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*3-7H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-3H,1H3;2*2-4H,1H3
• InChIKey: BCJULRLCHQPWKA-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1692.36
LogP ≤ 5	30.27
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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 157305267) 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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1cc(F)c(Br)c(F)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)cc(F)c1Cl.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1C(F)(F)F.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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?

The InChIKey is BCJULRLCHQPWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11F3.C9H9BrF2.C9H9ClF2.C9H10F2.C8H6BrF3.C7H5BrCl2.2C6H6ClN/c1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-5(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*3-7H,1-2H3;2*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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?

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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 1692.36 g/mol, XLogP of 30.27, 5 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;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157305267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).