3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

C9H6F7NO2 — CID 134682676

IUPAC3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1cnc(OC(F)(F)F)c(CF)c1C(F)(F)F
InChIInChI=1S/C9H6F7NO2/c1-18-5-3-17-7(19-9(14,15)16)4(2-10)6(5)8(11,12)13/h3H,2H2,1H3
InChIKeyXEYXBEAOKMGCOI-UHFFFAOYSA-N
MW293.14 g/mol
LogP3.48
Rot. Bonds3

About 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine

3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 134682676) has the molecular formula C9H6F7NO2 and a molecular weight of 293.14 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
PubChem CID134682676
Molecular FormulaC9H6F7NO2
Molecular Weight293.14 g/mol
Exact Mass293.03
IUPAC Name3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1cnc(OC(F)(F)F)c(CF)c1C(F)(F)F
InChIInChI=1S/C9H6F7NO2/c1-18-5-3-17-7(19-9(14,15)16)4(2-10)6(5)8(11,12)13/h3H,2H2,1H3
InChIKeyXEYXBEAOKMGCOI-UHFFFAOYSA-N
XLogP3.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(fluoromethyl)-2-iodo-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118801343
2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666342
2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671232
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665380
2-[4-iodo-5-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680637
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine (CID 134682676) is 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is COc1cnc(OC(F)(F)F)c(CF)c1C(F)(F)F.
What is the InChIKey of 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is XEYXBEAOKMGCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO2/c1-18-5-3-17-7(19-9(14,15)16)4(2-10)6(5)8(11,12)13/h3H,2H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine?
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 293.14 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134682676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).