5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine

C8H8F3NO — CID 175830369

IUPAC5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine
SMILES[2H]c1cnc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-2-13-7-6(8(9,10)11)4-3-5-12-7/h3-5H,2H2,1H3/i3D
InChIKeyKBQUVTHKBOALAV-WFVSFCRTSA-N
MW192.16 g/mol
LogP2.50
Rot. Bonds2

About 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine

5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine (PubChem CID 175830369) has the molecular formula C8H8F3NO and a molecular weight of 192.16 g/mol. Its IUPAC name is 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine
PubChem CID175830369
Molecular FormulaC8H8F3NO
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine
SMILES[2H]c1cnc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO/c1-2-13-7-6(8(9,10)11)4-3-5-12-7/h3-5H,2H2,1H3/i3D
InChIKeyKBQUVTHKBOALAV-WFVSFCRTSA-N
XLogP2.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3,6-bis(trifluoromethyl)pyridine
CID 133095206
2-ethoxy-6-iodo-3-(trifluoromethyl)pyridine
CID 129111718
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612
2-ethoxy-4-iodo-3-(trifluoromethyl)pyridine
CID 130784463
4-deuterio-2-ethoxy-6-(trifluoromethyl)pyridine
CID 175830368
2-ethoxy-3-(trifluoromethylsulfanyl)pyridine
CID 133057907
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
4-tert-butyl-2-ethoxy-3-methylpyridine
CID 58837611
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]prop-2-enamide
CID 154856649

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine (CID 175830369) is 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine is [2H]c1cnc(OCC)c(C(F)(F)F)c1.
What is the InChIKey of 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine?
The InChIKey is KBQUVTHKBOALAV-WFVSFCRTSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-2-13-7-6(8(9,10)11)4-3-5-12-7/h3-5H,2H2,1H3/i3D.
What are the key properties of 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine?
5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine has a molecular weight of 192.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-ethoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 175830369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).