5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine

C25H36ClF4N3 — CID 142379110

IUPAC5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine
SMILESCC.CC.CC.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(Cl)cn1.Cc1ccc(F)cn1
InChIInChI=1S/C7H6F3N.C6H6ClN.C6H6FN.3C2H6/c1-5-2-3-6(4-11-5)7(8,9)10;2*1-5-2-3-6(7)4-8-5;3*1-2/h2-4H,1H3;2*2-4H,1H3;3*1-2H3
InChIKeyUISNAKFYSCAGKH-UHFFFAOYSA-N
MW490.03 g/mol
LogP9.06
Rot. Bonds

About 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine

5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 142379110) has the molecular formula C25H36ClF4N3 and a molecular weight of 490.03 g/mol. Its IUPAC name is 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine
PubChem CID142379110
Molecular FormulaC25H36ClF4N3
Molecular Weight490.03 g/mol
Exact Mass489.25
IUPAC Name5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine
SMILESCC.CC.CC.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(Cl)cn1.Cc1ccc(F)cn1
InChIInChI=1S/C7H6F3N.C6H6ClN.C6H6FN.3C2H6/c1-5-2-3-6(4-11-5)7(8,9)10;2*1-5-2-3-6(7)4-8-5;3*1-2/h2-4H,1H3;2*2-4H,1H3;3*1-2H3
InChIKeyUISNAKFYSCAGKH-UHFFFAOYSA-N
XLogP9.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.03
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine (CID 142379110) is 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine is CC.CC.CC.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(Cl)cn1.Cc1ccc(F)cn1.
What is the InChIKey of 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is UISNAKFYSCAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.C6H6ClN.C6H6FN.3C2H6/c1-5-2-3-6(4-11-5)7(8,9)10;2*1-5-2-3-6(7)4-8-5;3*1-2/h2-4H,1H3;2*2-4H,1H3;3*1-2H3.
What are the key properties of 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine?
5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 490.03 g/mol, XLogP of 9.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 142379110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).