3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine

C19H12F5NO2 — CID 57090864

IUPAC3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1c(F)c(Oc2ccccc2)nc(Oc2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C19H12F5NO2/c1-11-15(20)17(26-13-7-3-2-4-8-13)25-18(16(11)21)27-14-9-5-6-12(10-14)19(22,23)24/h2-10H,1H3
InChIKeyBEURHEZWTIWFLC-UHFFFAOYSA-N
MW381.30 g/mol
LogP6.27
Rot. Bonds4

About 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine

3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 57090864) has the molecular formula C19H12F5NO2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID57090864
Molecular FormulaC19H12F5NO2
Molecular Weight381.30 g/mol
Exact Mass381.08
IUPAC Name3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1c(F)c(Oc2ccccc2)nc(Oc2cccc(C(F)(F)F)c2)c1F
InChIInChI=1S/C19H12F5NO2/c1-11-15(20)17(26-13-7-3-2-4-8-13)25-18(16(11)21)27-14-9-5-6-12(10-14)19(22,23)24/h2-10H,1H3
InChIKeyBEURHEZWTIWFLC-UHFFFAOYSA-N
XLogP6.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
CID 11122714
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4-ethyl-3,5-difluoro-2-[3-(trifluoromethyl)phenoxy]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 18359733
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
CID 6415102
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
[4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 61255509
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
CID 2765458
2,4-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 175592283
2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
CID 15104281

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine (CID 57090864) is 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine is Cc1c(F)c(Oc2ccccc2)nc(Oc2cccc(C(F)(F)F)c2)c1F.
What is the InChIKey of 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is BEURHEZWTIWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5NO2/c1-11-15(20)17(26-13-7-3-2-4-8-13)25-18(16(11)21)27-14-9-5-6-12(10-14)19(22,23)24/h2-10H,1H3.
What are the key properties of 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine?
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 381.30 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 57090864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).