5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine

C85H113ClF6N10 — CID 158852661

About 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 158852661) has the molecular formula C85H113ClF6N10 and a molecular weight of 1424.35 g/mol. Its IUPAC name is 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
• PubChem CID: 158852661
• Molecular Formula: C85H113ClF6N10
• Molecular Weight: 1424.35 g/mol
• Exact Mass: 1422.87
• IUPAC Name: 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
• SMILES: CC(C)c1cc(F)ccn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1ccccn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1
• InChI: InChI=1S/C9H10F3N.4C9H13N.C8H10ClN.3C8H10FN.C8H11N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8/h3-6H,1-2H3;4*4-7H,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3
• InChIKey: IZQUFVVHMDDMTI-UHFFFAOYSA-N
• XLogP: 25.37
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1424.35
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

The IUPAC name of 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 158852661) is 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1cc(F)ccn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1ccccn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.

What is the InChIKey of 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

The InChIKey is IZQUFVVHMDDMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.4C9H13N.C8H10ClN.3C8H10FN.C8H11N/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8/h3-6H,1-2H3;4*4-7H,1-3H3;4*3-6H,1-2H3;3-7H,1-2H3.

What are the key properties of 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 1424.35 g/mol, XLogP of 25.37, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158852661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).