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

C9H8F5NO2 — CID 134670213

IUPAC2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
SMILESCOc1c(C)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H8F5NO2/c1-4-3-15-5(8(10)11)7(6(4)16-2)17-9(12,13)14/h3,8H,1-2H3
InChIKeyNSKUICINBTYYGH-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.23
Rot. Bonds3

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

2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 134670213) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
PubChem CID134670213
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
SMILESCOc1c(C)cnc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H8F5NO2/c1-4-3-15-5(8(10)11)7(6(4)16-2)17-9(12,13)14/h3,8H,1-2H3
InChIKeyNSKUICINBTYYGH-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

2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
2-(difluoromethyl)-3-methoxy-5-methylpyridine-4-carbaldehyde
CID 118854298
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
2,3-difluoro-5-methyl-4-(trifluoromethoxy)pyridine
CID 130094249
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine (CID 134670213) is 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine is COc1c(C)cnc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is NSKUICINBTYYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c1-4-3-15-5(8(10)11)7(6(4)16-2)17-9(12,13)14/h3,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine?
2-(difluoromethyl)-4-methoxy-5-methyl-3-(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 2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134670213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).