2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine

C10H12F3NO — CID 138551515

IUPAC2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)c(C(C)C)cn1
InChIInChI=1S/C10H12F3NO/c1-6(2)7-5-14-9(15-3)4-8(7)10(11,12)13/h4-6H,1-3H3
InChIKeyMYYVFBQVSSJMIZ-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.23
Rot. Bonds2

About 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine

2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 138551515) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID138551515
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)c(C(C)C)cn1
InChIInChI=1S/C10H12F3NO/c1-6(2)7-5-14-9(15-3)4-8(7)10(11,12)13/h4-6H,1-3H3
InChIKeyMYYVFBQVSSJMIZ-UHFFFAOYSA-N
XLogP3.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine (CID 138551515) is 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine is COc1cc(C(F)(F)F)c(C(C)C)cn1.
What is the InChIKey of 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is MYYVFBQVSSJMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(2)7-5-14-9(15-3)4-8(7)10(11,12)13/h4-6H,1-3H3.
What are the key properties of 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine?
2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 219.21 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 138551515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).