3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene

C142H195ClFN19O4S — CID 158346670

About 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene

3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene (PubChem CID 158346670) has the molecular formula C142H195ClFN19O4S and a molecular weight of 2318.77 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene.

Molecular Properties

• Compound Name: 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene
• PubChem CID: 158346670
• Molecular Formula: C142H195ClFN19O4S
• Molecular Weight: 2318.77 g/mol
• Exact Mass: 2316.50
• IUPAC Name: 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene
• SMILES: CC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1ccsc1C.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1
• InChI: InChI=1S/2C8H10.C7H8ClN.C7H8FN.C7H9NO.C7H13NO.C7H9NO.8C7H9N.C7H12.C6H8N2.C6H13N.C6H8S.C5H8N2.C5H7NO/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4/h2*3-6H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;8*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3/t;;;;;6-;;;;;;;;;;;;6-;;;/m.....1...........0.../s1
• InChIKey: GRUUPGGGKBFGTH-IYVAMXTCSA-N
• XLogP: 33.42
• TPSA: 266.08 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2318.77
LogP ≤ 5	33.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene?

The IUPAC name of 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene (CID 158346670) is 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene.

What is the SMILES notation for 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene?

The canonical SMILES for 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene is CC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1ccsc1C.Cc1cnc(C)c(Cl)c1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1.

What is the InChIKey of 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene?

The InChIKey is GRUUPGGGKBFGTH-IYVAMXTCSA-N. The full InChI is InChI=1S/2C8H10.C7H8ClN.C7H8FN.C7H9NO.C7H13NO.C7H9NO.8C7H9N.C7H12.C6H8N2.C6H13N.C6H8S.C5H8N2.C5H7NO/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-5-3-7(8)6(2)9-4-5;1-6-3-4-8(2)7(9)5-6;2*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;2*1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;1-5-3-4-7-6(5)2;1-5-3-6-7(2)4-5;1-4-3-5(2)7-6-4/h2*3-6H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;8*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3/t;;;;;6-;;;;;;;;;;;;6-;;;/m.....1...........0.../s1.

What are the key properties of 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene?

3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene has a molecular weight of 2318.77 g/mol, XLogP of 33.42, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2,5-dimethylpyridine;1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;1,4-dimethylpyrazole;2,3-dimethylpyridine;bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;1,5-dimethylpyridin-2-one;2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3-fluoro-2,5-dimethylpyridine;1,2-xylene;1,3-xylene is sourced from PubChem (CID 158346670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).