2-ethoxy-3,6-bis(trifluoromethyl)pyridine

C9H7F6NO — CID 133095206

IUPAC2-ethoxy-3,6-bis(trifluoromethyl)pyridine
SMILESCCOc1nc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C9H7F6NO/c1-2-17-7-5(8(10,11)12)3-4-6(16-7)9(13,14)15/h3-4H,2H2,1H3
InChIKeyKZQYKAKTVBZKFU-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.52
Rot. Bonds2

About 2-ethoxy-3,6-bis(trifluoromethyl)pyridine

2-ethoxy-3,6-bis(trifluoromethyl)pyridine (PubChem CID 133095206) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-ethoxy-3,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-ethoxy-3,6-bis(trifluoromethyl)pyridine
PubChem CID133095206
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name2-ethoxy-3,6-bis(trifluoromethyl)pyridine
SMILESCCOc1nc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C9H7F6NO/c1-2-17-7-5(8(10,11)12)3-4-6(16-7)9(13,14)15/h3-4H,2H2,1H3
InChIKeyKZQYKAKTVBZKFU-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-ethoxy-3,6-bis(trifluoromethyl)pyridine (CID 133095206) is 2-ethoxy-3,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-ethoxy-3,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-ethoxy-3,6-bis(trifluoromethyl)pyridine is CCOc1nc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-3,6-bis(trifluoromethyl)pyridine?
The InChIKey is KZQYKAKTVBZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c1-2-17-7-5(8(10,11)12)3-4-6(16-7)9(13,14)15/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-3,6-bis(trifluoromethyl)pyridine?
2-ethoxy-3,6-bis(trifluoromethyl)pyridine has a molecular weight of 259.15 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 133095206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).