2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine

C17H11F5N2O3S — CID 67660236

IUPAC2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine
SMILESCc1cc(Oc2ccc(C(F)(F)F)s2)nc(Oc2ccncc2OC(F)F)c1
InChIInChI=1S/C17H11F5N2O3S/c1-9-6-13(25-10-4-5-23-8-11(10)26-16(18)19)24-14(7-9)27-15-3-2-12(28-15)17(20,21)22/h2-8,16H,1H3
InChIKeySSOREVNMAISGPC-UHFFFAOYSA-N
MW418.34 g/mol
LogP6.05
Rot. Bonds6

About 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine

2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine (PubChem CID 67660236) has the molecular formula C17H11F5N2O3S and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine
PubChem CID67660236
Molecular FormulaC17H11F5N2O3S
Molecular Weight418.34 g/mol
Exact Mass418.04
IUPAC Name2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine
SMILESCc1cc(Oc2ccc(C(F)(F)F)s2)nc(Oc2ccncc2OC(F)F)c1
InChIInChI=1S/C17H11F5N2O3S/c1-9-6-13(25-10-4-5-23-8-11(10)26-16(18)19)24-14(7-9)27-15-3-2-12(28-15)17(20,21)22/h2-8,16H,1H3
InChIKeySSOREVNMAISGPC-UHFFFAOYSA-N
XLogP6.05
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.34
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine?
The IUPAC name of 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine (CID 67660236) is 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine?
The canonical SMILES for 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine is Cc1cc(Oc2ccc(C(F)(F)F)s2)nc(Oc2ccncc2OC(F)F)c1.
What is the InChIKey of 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine?
The InChIKey is SSOREVNMAISGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O3S/c1-9-6-13(25-10-4-5-23-8-11(10)26-16(18)19)24-14(7-9)27-15-3-2-12(28-15)17(20,21)22/h2-8,16H,1H3.
What are the key properties of 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine?
2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine has a molecular weight of 418.34 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine is sourced from PubChem (CID 67660236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).