2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine

C75H117N11S2 — CID 160947440

About 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine

2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine (PubChem CID 160947440) has the molecular formula C75H117N11S2 and a molecular weight of 1236.97 g/mol. Its IUPAC name is 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine.

Molecular Properties

• Compound Name: 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine
• PubChem CID: 160947440
• Molecular Formula: C75H117N11S2
• Molecular Weight: 1236.97 g/mol
• Exact Mass: 1235.89
• IUPAC Name: 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine
• SMILES: C1=CCN=C1.CC.CC.CC.CC.CC1=CCC(C)=C1C.CC1=CCC(C)=C1C.CC1=CCC(C)=C1C.CC1=NC=CC1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1ccnc(C)n1.Cc1ncns1.Cc1nncs1
• InChI: InChI=1S/C8H11N.3C8H12.2C7H9N.C6H8N2.C5H7N.C4H5N.2C3H4N2S.4C2H6/c1-6-4-5-9-8(3)7(6)2;3*1-6-4-5-7(2)8(6)3;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-5-3-4-7-6(2)8-5;1-5-3-2-4-6-5;1-2-4-5-3-1;1-3-5-4-2-6-3;1-3-4-2-5-6-3;4*1-2/h4-5H,1-3H3;3*4H,5H2,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;2,4H,3H2,1H3;1-3H,4H2;2*2H,1H3;4*1-2H3
• InChIKey: SVHOCGHXNHTVOR-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 140.73 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.97
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine?

The IUPAC name of 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine (CID 160947440) is 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine.

What is the SMILES notation for 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine?

The canonical SMILES for 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine is C1=CCN=C1.CC.CC.CC.CC.CC1=CCC(C)=C1C.CC1=CCC(C)=C1C.CC1=CCC(C)=C1C.CC1=NC=CC1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1ccnc(C)n1.Cc1ncns1.Cc1nncs1.

What is the InChIKey of 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine?

The InChIKey is SVHOCGHXNHTVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.3C8H12.2C7H9N.C6H8N2.C5H7N.C4H5N.2C3H4N2S.4C2H6/c1-6-4-5-9-8(3)7(6)2;3*1-6-4-5-7(2)8(6)3;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6;1-5-3-4-7-6(2)8-5;1-5-3-2-4-6-5;1-2-4-5-3-1;1-3-5-4-2-6-3;1-3-4-2-5-6-3;4*1-2/h4-5H,1-3H3;3*4H,5H2,1-3H3;2*3-5H,1-2H3;3-4H,1-2H3;2,4H,3H2,1H3;1-3H,4H2;2*2H,1H3;4*1-2H3.

What are the key properties of 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine?

2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine has a molecular weight of 1236.97 g/mol, XLogP of 22.31, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylpyridine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;ethane;2-methyl-3H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2H-pyrrole;tris(1,2,3-trimethylcyclopenta-1,3-diene);2,3,4-trimethylpyridine is sourced from PubChem (CID 160947440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).