2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine

C13H18F3NO — CID 176694092

IUPAC2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine
SMILESCc1nc(C(C)C)c(C(C)C)cc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-7(2)10-6-11(18-13(14,15)16)9(5)17-12(10)8(3)4/h6-8H,1-5H3
InChIKeyHLUSOVWFFLSBMM-UHFFFAOYSA-N
MW261.29 g/mol
LogP4.54
Rot. Bonds3

About 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine

2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine (PubChem CID 176694092) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine
PubChem CID176694092
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine
SMILESCc1nc(C(C)C)c(C(C)C)cc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-7(2)10-6-11(18-13(14,15)16)9(5)17-12(10)8(3)4/h6-8H,1-5H3
InChIKeyHLUSOVWFFLSBMM-UHFFFAOYSA-N
XLogP4.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine (CID 176694092) is 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine is Cc1nc(C(C)C)c(C(C)C)cc1OC(F)(F)F.
What is the InChIKey of 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine?
The InChIKey is HLUSOVWFFLSBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-7(2)10-6-11(18-13(14,15)16)9(5)17-12(10)8(3)4/h6-8H,1-5H3.
What are the key properties of 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine?
2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine has a molecular weight of 261.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 176694092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).