2-methyl-6-propyl-3-(trifluoromethyl)pyridine

C10H12F3N — CID 145086517

IUPAC2-methyl-6-propyl-3-(trifluoromethyl)pyridine
SMILESCCCc1ccc(C(F)(F)F)c(C)n1
InChIInChI=1S/C10H12F3N/c1-3-4-8-5-6-9(7(2)14-8)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyQSPWGAOUHVIVNM-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.36
Rot. Bonds2

About 2-methyl-6-propyl-3-(trifluoromethyl)pyridine

2-methyl-6-propyl-3-(trifluoromethyl)pyridine (PubChem CID 145086517) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-methyl-6-propyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-propyl-3-(trifluoromethyl)pyridine
PubChem CID145086517
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-methyl-6-propyl-3-(trifluoromethyl)pyridine
SMILESCCCc1ccc(C(F)(F)F)c(C)n1
InChIInChI=1S/C10H12F3N/c1-3-4-8-5-6-9(7(2)14-8)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyQSPWGAOUHVIVNM-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-propyl-3-(trifluoromethyl)pyridine (CID 145086517) is 2-methyl-6-propyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-propyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-propyl-3-(trifluoromethyl)pyridine is CCCc1ccc(C(F)(F)F)c(C)n1.
What is the InChIKey of 2-methyl-6-propyl-3-(trifluoromethyl)pyridine?
The InChIKey is QSPWGAOUHVIVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-3-4-8-5-6-9(7(2)14-8)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-6-propyl-3-(trifluoromethyl)pyridine?
2-methyl-6-propyl-3-(trifluoromethyl)pyridine has a molecular weight of 203.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 145086517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).