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

C9H8F5NO2 — CID 134660494

IUPAC4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
SMILESCOc1cnc(OC(F)(F)F)c(C)c1C(F)F
InChIInChI=1S/C9H8F5NO2/c1-4-6(7(10)11)5(16-2)3-15-8(4)17-9(12,13)14/h3,7H,1-2H3
InChIKeyZMRCVTQJQFDWGE-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.23
Rot. Bonds3

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

4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 134660494) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
PubChem CID134660494
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
SMILESCOc1cnc(OC(F)(F)F)c(C)c1C(F)F
InChIInChI=1S/C9H8F5NO2/c1-4-6(7(10)11)5(16-2)3-15-8(4)17-9(12,13)14/h3,7H,1-2H3
InChIKeyZMRCVTQJQFDWGE-UHFFFAOYSA-N
XLogP3.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridin-4-amine
CID 118800001
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
2-[5-methoxy-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666342
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine (CID 134660494) is 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine is COc1cnc(OC(F)(F)F)c(C)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is ZMRCVTQJQFDWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c1-4-6(7(10)11)5(16-2)3-15-8(4)17-9(12,13)14/h3,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine has a molecular weight of 257.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134660494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).