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

C155H143Br3Cl6F30I3N9O3 — CID 159855696

IUPAC1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1c(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-].Cc1cccnc1Br.Cc1cccnc1C(F)(F)F.Cc1cccnc1Cl.Cc1cccnc1I.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.Cc1nccnc1C(F)(F)F
InChIInChI=1S/C9H9F3.C8H6F4.C8H7F3O.C8H7F3.C8H8F2.C7H6BrF.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl.2C7H6F3N.C7H6F2.C7H6FI.C7H7F.C7H7I.C7H7NO2.C6H6BrN.2C6H6ClN.C6H5F3N2.C6H6IN/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;1-5-6(7(8,9)10)3-2-4-11-5;1-5-3-2-4-11-6(5)7(8,9)10;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;1-5-3-2-4-8-6(5)7;1-5-6(7)3-2-4-8-5;1-5-3-2-4-8-6(5)7;1-4-5(6(7,8)9)11-3-2-10-4;1-5-3-2-4-8-6(5)7/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*2-4H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;2-3H,1H3;2-4H,1H3
InChIKeyNQMPKAQRFQHULF-UHFFFAOYSA-N
MW3582.99 g/mol
LogP56.21
Rot. Bonds3

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

1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 159855696) has the molecular formula C155H143Br3Cl6F30I3N9O3 and a molecular weight of 3582.99 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
PubChem CID159855696
Molecular FormulaC155H143Br3Cl6F30I3N9O3
Molecular Weight3582.99 g/mol
Exact Mass3575.37
IUPAC Name1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1c(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-].Cc1cccnc1Br.Cc1cccnc1C(F)(F)F.Cc1cccnc1Cl.Cc1cccnc1I.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.Cc1nccnc1C(F)(F)F
InChIInChI=1S/C9H9F3.C8H6F4.C8H7F3O.C8H7F3.C8H8F2.C7H6BrF.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl.2C7H6F3N.C7H6F2.C7H6FI.C7H7F.C7H7I.C7H7NO2.C6H6BrN.2C6H6ClN.C6H5F3N2.C6H6IN/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;1-5-6(7(8,9)10)3-2-4-11-5;1-5-3-2-4-11-6(5)7(8,9)10;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;1-5-3-2-4-8-6(5)7;1-5-6(7)3-2-4-8-5;1-5-3-2-4-8-6(5)7;1-4-5(6(7,8)9)11-3-2-10-4;1-5-3-2-4-8-6(5)7/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*2-4H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;2-3H,1H3;2-4H,1H3
InChIKeyNQMPKAQRFQHULF-UHFFFAOYSA-N
XLogP56.21
TPSA155.49 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003582.99
LogP ≤ 556.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

1-Bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;2-(difluoromethyl)-3-methylpyridine;2,3-dimethylpyridine;2-ethyl-3-methylpyridine;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-fluoro-3-methyl-2-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
CID 158099415
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
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;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-fluoro-3-methyl-2-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;3-methyl-2-(trifluoromethyl)pyridine
CID 161394241
1-Bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;1-fluoro-3-iodo-2-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;1-fluoro-3-methyl-2-(trifluoromethyl)benzene;1-iodo-2-methylbenzene;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine
CID 161669277
8-[4-(2-Bromophenyl)pentyl]quinoline;bis(8-[4-(2-chlorophenyl)pentyl]quinoline);8-[3-fluoro-4-(2-methylphenyl)pentyl]quinoline;8-[4-(2-methoxyphenyl)hexyl]quinoline;8-[3-methyl-4-(2-methylphenyl)pentyl]quinoline;tetrakis(8-[4-(2-methylphenyl)pentyl]quinoline)
CID 159612226

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine (CID 159855696) is 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;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-].Cc1cccnc1Br.Cc1cccnc1C(F)(F)F.Cc1cccnc1Cl.Cc1cccnc1I.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.Cc1nccnc1C(F)(F)F.
What is the InChIKey of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is NQMPKAQRFQHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C8H6F4.C8H7F3O.C8H7F3.C8H8F2.C7H6BrF.C7H7Br.C7H6Cl2.C7H6ClF.C7H7Cl.2C7H6F3N.C7H6F2.C7H6FI.C7H7F.C7H7I.C7H7NO2.C6H6BrN.2C6H6ClN.C6H5F3N2.C6H6IN/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;1-5-6(7(8,9)10)3-2-4-11-5;1-5-3-2-4-11-6(5)7(8,9)10;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;1-5-3-2-4-8-6(5)7;1-5-6(7)3-2-4-8-5;1-5-3-2-4-8-6(5)7;1-4-5(6(7,8)9)11-3-2-10-4;1-5-3-2-4-8-6(5)7/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*2-4H,1H3;2*2-4H,1H3;2*2-5H,1H3;2-5H,1H3;3*2-4H,1H3;2-3H,1H3;2-4H,1H3.
What are the key properties of 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine?
1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 3582.99 g/mol, XLogP of 56.21, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-methylbenzene;1-bromo-2-methylbenzene;2-bromo-3-methylpyridine;1-chloro-3-fluoro-2-methylbenzene;1-chloro-2-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;1,3-dichloro-2-methylbenzene;1,3-difluoro-2-methylbenzene;1-(difluoromethyl)-2-methylbenzene;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;2-iodo-3-methylpyridine;1-methyl-2-nitrobenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine;3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159855696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).