5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine

C25H30ClF4N3 — CID 159973347

IUPAC5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1
InChIInChI=1S/C9H10F3N.C8H10ClN.C8H10FN/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;2*1-6(2)8-4-3-7(9)5-10-8/h3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyOEVMKBGMANKZEH-UHFFFAOYSA-N
MW483.98 g/mol
LogP8.43
Rot. Bonds3

About 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 159973347) has the molecular formula C25H30ClF4N3 and a molecular weight of 483.98 g/mol. Its IUPAC name is 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID159973347
Molecular FormulaC25H30ClF4N3
Molecular Weight483.98 g/mol
Exact Mass483.21
IUPAC Name5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1
InChIInChI=1S/C9H10F3N.C8H10ClN.C8H10FN/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;2*1-6(2)8-4-3-7(9)5-10-8/h3-6H,1-2H3;2*3-6H,1-2H3
InChIKeyOEVMKBGMANKZEH-UHFFFAOYSA-N
XLogP8.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 159973347) is 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.
What is the InChIKey of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is OEVMKBGMANKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.C8H10ClN.C8H10FN/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;2*1-6(2)8-4-3-7(9)5-10-8/h3-6H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 483.98 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).