3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene

C72H92Cl2N8OS3 — CID 159023879

About 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene

3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene (PubChem CID 159023879) has the molecular formula C72H92Cl2N8OS3 and a molecular weight of 1252.69 g/mol. Its IUPAC name is 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene.

Molecular Properties

• Compound Name: 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene
• PubChem CID: 159023879
• Molecular Formula: C72H92Cl2N8OS3
• Molecular Weight: 1252.69 g/mol
• Exact Mass: 1250.59
• IUPAC Name: 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene
• SMILES: Cc1cc(C)c(Cl)cn1.Cc1cc(C)on1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)c(C)n1.Cc1cccc(C)n1.Cc1ccccc1C.Cc1ccnc(C)c1.Cc1ccsc1C.Cc1cnc(C)nc1.Cc1cscc1C
• InChI: InChI=1S/C8H10.2C7H8ClN.3C7H9N.C6H8N2.3C6H8S.C5H7NO/c1-7-5-3-4-6-8(7)2;1-5-3-6(2)9-4-7(5)8;1-5-3-4-7(8)6(2)9-5;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-7-6(2)8-4-5;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h3-6H,1-2H3;2*3-4H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;3*3-4H,1-2H3;3H,1-2H3
• InChIKey: JUAXKCWDGIYXHH-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 116.26 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1252.69
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene?

The IUPAC name of 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene (CID 159023879) is 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene.

What is the SMILES notation for 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene?

The canonical SMILES for 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene is Cc1cc(C)c(Cl)cn1.Cc1cc(C)on1.Cc1ccc(C)nc1.Cc1ccc(C)s1.Cc1ccc(Cl)c(C)n1.Cc1cccc(C)n1.Cc1ccccc1C.Cc1ccnc(C)c1.Cc1ccsc1C.Cc1cnc(C)nc1.Cc1cscc1C.

What is the InChIKey of 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene?

The InChIKey is JUAXKCWDGIYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H8ClN.3C7H9N.C6H8N2.3C6H8S.C5H7NO/c1-7-5-3-4-6-8(7)2;1-5-3-6(2)9-4-7(5)8;1-5-3-4-7(8)6(2)9-5;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-7-6(2)8-4-5;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4/h3-6H,1-2H3;2*3-4H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;3*3-4H,1-2H3;3H,1-2H3.

What are the key properties of 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene?

3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene has a molecular weight of 1252.69 g/mol, XLogP of 21.58, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2,6-dimethylpyridine;5-chloro-2,4-dimethylpyridine;3,5-dimethyl-1,2-oxazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2,5-dimethylpyrimidine;2,3-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;1,2-xylene is sourced from PubChem (CID 159023879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).