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

C9H7F6NO2 — CID 134665042

IUPAC5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCOc1cc(C)c(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H7F6NO2/c1-4-3-5(17-2)6(8(10,11)12)16-7(4)18-9(13,14)15/h3H,1-2H3
InChIKeyWHPVOIBTCCCLJT-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.32
Rot. Bonds2

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

5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134665042) has the molecular formula C9H7F6NO2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134665042
Molecular FormulaC9H7F6NO2
Molecular Weight275.15 g/mol
Exact Mass275.04
IUPAC Name5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCOc1cc(C)c(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H7F6NO2/c1-4-3-5(17-2)6(8(10,11)12)16-7(4)18-9(13,14)15/h3H,1-2H3
InChIKeyWHPVOIBTCCCLJT-UHFFFAOYSA-N
XLogP3.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134669983
3-methoxy-6-methyl-2-(trifluoromethoxy)pyridine
CID 130093146
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 130093140
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133087619
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134665042) is 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is COc1cc(C)c(OC(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is WHPVOIBTCCCLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO2/c1-4-3-5(17-2)6(8(10,11)12)16-7(4)18-9(13,14)15/h3H,1-2H3.
What are the key properties of 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 275.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134665042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).