3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

C9H5F8NO2 — CID 134665221

IUPAC3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5F8NO2/c1-19-7-5(6(10)11)3(20-9(15,16)17)2-4(18-7)8(12,13)14/h2,6H,1H3
InChIKeyFTDDBVCQOMTETO-UHFFFAOYSA-N
MW311.13 g/mol
LogP3.95
Rot. Bonds3

About 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134665221) has the molecular formula C9H5F8NO2 and a molecular weight of 311.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134665221
Molecular FormulaC9H5F8NO2
Molecular Weight311.13 g/mol
Exact Mass311.02
IUPAC Name3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C9H5F8NO2/c1-19-7-5(6(10)11)3(20-9(15,16)17)2-4(18-7)8(12,13)14/h2,6H,1H3
InChIKeyFTDDBVCQOMTETO-UHFFFAOYSA-N
XLogP3.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine
CID 130085659
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826346
[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134661918
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
CID 119016175

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134665221) is 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is COc1nc(C(F)(F)F)cc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is FTDDBVCQOMTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F8NO2/c1-19-7-5(6(10)11)3(20-9(15,16)17)2-4(18-7)8(12,13)14/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 311.13 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134665221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).