2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine

C11H14F3N — CID 146614926

IUPAC2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)c(C(C)C)nc1C
InChIInChI=1S/C11H14F3N/c1-6(2)10-9(11(12,13)14)5-7(3)8(4)15-10/h5-6H,1-4H3
InChIKeyPSJPGHFFHSNLBA-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.84
Rot. Bonds1

About 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine

2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 146614926) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID146614926
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)c(C(C)C)nc1C
InChIInChI=1S/C11H14F3N/c1-6(2)10-9(11(12,13)14)5-7(3)8(4)15-10/h5-6H,1-4H3
InChIKeyPSJPGHFFHSNLBA-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine (CID 146614926) is 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)c(C(C)C)nc1C.
What is the InChIKey of 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is PSJPGHFFHSNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-6(2)10-9(11(12,13)14)5-7(3)8(4)15-10/h5-6H,1-4H3.
What are the key properties of 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine?
2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 217.23 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 146614926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).