2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

C73H94F6N8S2 — CID 165077663

About 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine

2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 165077663) has the molecular formula C73H94F6N8S2 and a molecular weight of 1261.73 g/mol. Its IUPAC name is 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
• PubChem CID: 165077663
• Molecular Formula: C73H94F6N8S2
• Molecular Weight: 1261.73 g/mol
• Exact Mass: 1260.69
• IUPAC Name: 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc2cccn2cn1.CC(C)(C)c1cc2ccsc2cn1.CC(C)(C)c1cc2sccc2cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1
• InChI: InChI=1S/C11H14N2.2C11H13NS.2C10H12F3N.2C10H15N/c1-11(2,3)10-7-9-5-4-6-13(9)8-12-10;1-11(2,3)10-6-9-8(7-12-10)4-5-13-9;1-11(2,3)10-6-8-4-5-13-9(8)7-12-10;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3;2*5-7H,1-4H3
• InChIKey: UOXNYKZJBCLXQO-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 94.64 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1261.73
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?

The IUPAC name of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 165077663) is 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?

The canonical SMILES for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc2cccn2cn1.CC(C)(C)c1cc2ccsc2cn1.CC(C)(C)c1cc2sccc2cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1.

What is the InChIKey of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?

The InChIKey is UOXNYKZJBCLXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.2C11H13NS.2C10H12F3N.2C10H15N/c1-11(2,3)10-7-9-5-4-6-13(9)8-12-10;1-11(2,3)10-6-9-8(7-12-10)4-5-13-9;1-11(2,3)10-6-8-4-5-13-9(8)7-12-10;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3;2*5-7H,1-4H3.

What are the key properties of 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine?

2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 1261.73 g/mol, XLogP of 21.99, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butylpyrrolo[1,2-c]pyrimidine;5-tert-butylthieno[2,3-c]pyridine;6-tert-butylthieno[3,2-c]pyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 165077663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).