3-methyl-5-(trifluoromethyl)pyridine

C21H18F9N3 — CID 143745835

IUPAC3-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1
InChIInChI=1S/3C7H6F3N/c3*1-5-2-6(4-11-3-5)7(8,9)10/h3*2-4H,1H3
InChIKeyFGSNPRWCFOMLOG-UHFFFAOYSA-N
MW483.38 g/mol
LogP7.23
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)pyridine

3-methyl-5-(trifluoromethyl)pyridine (PubChem CID 143745835) has the molecular formula C21H18F9N3 and a molecular weight of 483.38 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)pyridine
PubChem CID143745835
Molecular FormulaC21H18F9N3
Molecular Weight483.38 g/mol
Exact Mass483.14
IUPAC Name3-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1
InChIInChI=1S/3C7H6F3N/c3*1-5-2-6(4-11-3-5)7(8,9)10/h3*2-4H,1H3
InChIKeyFGSNPRWCFOMLOG-UHFFFAOYSA-N
XLogP7.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.38
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-methyl-5-(trifluoromethyl)pyridine (CID 143745835) is 3-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)pyridine is Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is FGSNPRWCFOMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H6F3N/c3*1-5-2-6(4-11-3-5)7(8,9)10/h3*2-4H,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)pyridine?
3-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 483.38 g/mol, XLogP of 7.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 143745835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).