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

C9H5F8NO2 — CID 134668342

IUPAC2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H5F8NO2/c1-19-5-3(8(12,13)14)2-18-4(7(10)11)6(5)20-9(15,16)17/h2,7H,1H3
InChIKeyDWBZIXLZHHWZSE-UHFFFAOYSA-N
MW311.13 g/mol
LogP3.95
Rot. Bonds3

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

2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 134668342) has the molecular formula C9H5F8NO2 and a molecular weight of 311.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
PubChem CID134668342
Molecular FormulaC9H5F8NO2
Molecular Weight311.13 g/mol
Exact Mass311.02
IUPAC Name2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H5F8NO2/c1-19-5-3(8(12,13)14)2-18-4(7(10)11)6(5)20-9(15,16)17/h2,7H,1H3
InChIKeyDWBZIXLZHHWZSE-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

2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
CID 130083326
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917
2-(bromomethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134670134
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118826032
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine (CID 134668342) is 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is COc1c(C(F)(F)F)cnc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is DWBZIXLZHHWZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F8NO2/c1-19-5-3(8(12,13)14)2-18-4(7(10)11)6(5)20-9(15,16)17/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine?
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(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 2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134668342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).