2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)

C211H269Cl2F5N21OS11+ — CID 167630818

About 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)

2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene) (PubChem CID 167630818) has the molecular formula C211H269Cl2F5N21OS11+ and a molecular weight of 3634.25 g/mol. Its IUPAC name is 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene).

Molecular Properties

• Compound Name: 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)
• PubChem CID: 167630818
• Molecular Formula: C211H269Cl2F5N21OS11+
• Molecular Weight: 3634.25 g/mol
• Exact Mass: 3629.79
• IUPAC Name: 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)
• SMILES: CC.CC1=NC=CC1.CCc1ccc(C)s1.CCc1ccccc1.Cc1cc[n+](C)cc1.Cc1ccc(C(C)F)s1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(C)s1.Cc1ccc(F)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1Cl.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1cccs1.Cc1ccn(C)n1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nc(C)c(C)s1.Cc1ncccc1F.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)s1.Cc1nnc(C)s1
• InChI: InChI=1S/C8H9Cl.2C8H9F.4C8H10.C7H7Cl.C7H9FS.C7H7F.C7H10N.4C7H9N.C7H10S.2C7H8.C6H6FN.C6H9NS.C6H7N.2C6H8S.C5H8N2.C5H6N2.2C5H7NS.C5H7N.C5H6S.2C4H6N2S.C4H5NO.C4H5NS.C2H6/c1-6-4-3-5-7(2)8(6)9;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-7(6)8;1-5-3-4-7(9-5)6(2)8;1-6-4-2-3-5-7(6)8;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;3*1-6-4-3-5-7(2)8-6;1-3-7-5-4-6(2)8-7;2*1-7-5-3-2-4-6-7;1-5-6(7)3-2-4-8-5;1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-6-3-2-4-7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-5-3-2-4-6-5;2*1-3-5-6-4(2)7-3;2*1-4-5-2-3-6-4;1-2/h3*3-5H,1-2H3;3*3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;3-4,6H,1-2H3;2-5H,1H3;3-6H,1-2H3;4*3-5H,1-2H3;4-5H,3H2,1-2H3;2*2-6H,1H3;2-4H,1H3;1-3H3;2-5H,1H3;3*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;2,4H,3H2,1H3;2-4H,1H3;2*1-2H3;2*2-3H,1H3;1-2H3/q;;;;;;;;;;+1
• InChIKey: NTSLIOOTYNTHTJ-UHFFFAOYSA-N
• XLogP: 63.04
• TPSA: 266.33 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 3
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3634.25
LogP ≤ 5	63.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)?

The IUPAC name of 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene) (CID 167630818) is 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene).

What is the SMILES notation for 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)?

The canonical SMILES for 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene) is CC.CC1=NC=CC1.CCc1ccc(C)s1.CCc1ccccc1.Cc1cc[n+](C)cc1.Cc1ccc(C(C)F)s1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(C)s1.Cc1ccc(F)c(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1Cl.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1cccc(C)n1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccccn1.Cc1cccs1.Cc1ccn(C)n1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nc(C)c(C)s1.Cc1ncccc1F.Cc1ncccn1.Cc1ncco1.Cc1nccs1.Cc1nnc(C)s1.Cc1nnc(C)s1.

What is the InChIKey of 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)?

The InChIKey is NTSLIOOTYNTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.2C8H9F.4C8H10.C7H7Cl.C7H9FS.C7H7F.C7H10N.4C7H9N.C7H10S.2C7H8.C6H6FN.C6H9NS.C6H7N.2C6H8S.C5H8N2.C5H6N2.2C5H7NS.C5H7N.C5H6S.2C4H6N2S.C4H5NO.C4H5NS.C2H6/c1-6-4-3-5-7(2)8(6)9;1-6-3-4-8(9)7(2)5-6;1-6-3-4-7(2)8(9)5-6;2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-7(6)8;1-5-3-4-7(9-5)6(2)8;1-6-4-2-3-5-7(6)8;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6;3*1-6-4-3-5-7(2)8-6;1-3-7-5-4-6(2)8-7;2*1-7-5-3-2-4-6-7;1-5-6(7)3-2-4-8-5;1-4-5(2)8-6(3)7-4;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;1-5-3-4-7(2)6-5;1-5-6-3-2-4-7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;2*1-5-3-2-4-6-5;2*1-3-5-6-4(2)7-3;2*1-4-5-2-3-6-4;1-2/h3*3-5H,1-2H3;3*3-6H,1-2H3;3-7H,2H2,1H3;2-5H,1H3;3-4,6H,1-2H3;2-5H,1H3;3-6H,1-2H3;4*3-5H,1-2H3;4-5H,3H2,1-2H3;2*2-6H,1H3;2-4H,1H3;1-3H3;2-5H,1H3;3*3-4H,1-2H3;2-4H,1H3;2*3H,1-2H3;2,4H,3H2,1H3;2-4H,1H3;2*1-2H3;2*2-3H,1H3;1-2H3/q;;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene)?

2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene) has a molecular weight of 3634.25 g/mol, XLogP of 63.04, 3 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1,3-dimethylbenzene;1-chloro-2-methylbenzene;1,3-dimethylpyrazole;2,5-dimethylpyridine;tris(2,6-dimethylpyridine);1,4-dimethylpyridin-1-ium;bis(2,5-dimethyl-1,3,4-thiadiazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;bis(2,5-dimethylthiophene);ethane;ethylbenzene;2-ethyl-5-methylthiophene;1-fluoro-2,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;2-(1-fluoroethyl)-5-methylthiophene;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;toluene;2,4,5-trimethyl-1,3-thiazole;1,3-xylene;bis(1,4-xylene) is sourced from PubChem (CID 167630818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).