4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine

C16H13F6N5O3 — CID 22572630

IUPAC4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
SMILESCOc1cc(Oc2cc(C(F)(F)F)nn2C)nc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H13F6N5O3/c1-26-13(6-9(24-26)15(17,18)19)29-11-4-8(28-3)5-12(23-11)30-14-7-10(16(20,21)22)25-27(14)2/h4-7H,1-3H3
InChIKeyTZQDQYNFMNUWCM-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.18
Rot. Bonds5

About 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine

4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine (PubChem CID 22572630) has the molecular formula C16H13F6N5O3 and a molecular weight of 437.30 g/mol. Its IUPAC name is 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine.

Molecular Properties

Compound Name4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
PubChem CID22572630
Molecular FormulaC16H13F6N5O3
Molecular Weight437.30 g/mol
Exact Mass437.09
IUPAC Name4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine
SMILESCOc1cc(Oc2cc(C(F)(F)F)nn2C)nc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C16H13F6N5O3/c1-26-13(6-9(24-26)15(17,18)19)29-11-4-8(28-3)5-12(23-11)30-14-7-10(16(20,21)22)25-27(14)2/h4-7H,1-3H3
InChIKeyTZQDQYNFMNUWCM-UHFFFAOYSA-N
XLogP4.18
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine?
The IUPAC name of 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine (CID 22572630) is 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine.
What is the SMILES notation for 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine?
The canonical SMILES for 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine is COc1cc(Oc2cc(C(F)(F)F)nn2C)nc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine?
The InChIKey is TZQDQYNFMNUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5O3/c1-26-13(6-9(24-26)15(17,18)19)29-11-4-8(28-3)5-12(23-11)30-14-7-10(16(20,21)22)25-27(14)2/h4-7H,1-3H3.
What are the key properties of 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine?
4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine has a molecular weight of 437.30 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-bis[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy]pyridine is sourced from PubChem (CID 22572630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).