2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

C9H6F7NO2 — CID 134669983

IUPAC2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)c(C(F)(F)F)nc1CF
InChIInChI=1S/C9H6F7NO2/c1-18-5-2-6(19-9(14,15)16)7(8(11,12)13)17-4(5)3-10/h2H,3H2,1H3
InChIKeyCIZCLMGJIMODNA-UHFFFAOYSA-N
MW293.14 g/mol
LogP3.48
Rot. Bonds3

About 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134669983) has the molecular formula C9H6F7NO2 and a molecular weight of 293.14 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134669983
Molecular FormulaC9H6F7NO2
Molecular Weight293.14 g/mol
Exact Mass293.03
IUPAC Name2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)c(C(F)(F)F)nc1CF
InChIInChI=1S/C9H6F7NO2/c1-18-5-2-6(19-9(14,15)16)7(8(11,12)13)17-4(5)3-10/h2H,3H2,1H3
InChIKeyCIZCLMGJIMODNA-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

ethyl 6-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681708
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665042
methyl 6-(fluoromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661648
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
3-fluoro-6-(fluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680375
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134659331
3-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134669334

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134669983) is 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is COc1cc(OC(F)(F)F)c(C(F)(F)F)nc1CF.
What is the InChIKey of 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is CIZCLMGJIMODNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO2/c1-18-5-2-6(19-9(14,15)16)7(8(11,12)13)17-4(5)3-10/h2H,3H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(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 2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134669983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).