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

C9H8F5NO2 — CID 134678577

IUPAC6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
SMILESCOc1c(C)cc(C(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H8F5NO2/c1-4-3-5(7(10)11)15-8(6(4)16-2)17-9(12,13)14/h3,7H,1-2H3
InChIKeyBPSUNAUXRWPLIY-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.23
Rot. Bonds3

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

6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 134678577) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
PubChem CID134678577
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
SMILESCOc1c(C)cc(C(F)F)nc1OC(F)(F)F
InChIInChI=1S/C9H8F5NO2/c1-4-3-5(7(10)11)15-8(6(4)16-2)17-9(12,13)14/h3,7H,1-2H3
InChIKeyBPSUNAUXRWPLIY-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

[6-(difluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681962
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679365
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118839308
ethyl 2-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine (CID 134678577) is 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine is COc1c(C)cc(C(F)F)nc1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is BPSUNAUXRWPLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c1-4-3-5(7(10)11)15-8(6(4)16-2)17-9(12,13)14/h3,7H,1-2H3.
What are the key properties of 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine?
6-(difluoromethyl)-3-methoxy-4-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 6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134678577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).