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

C14H12F7N3O2 — CID 12010270

IUPAC4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine
SMILESCc1cc(OCC(F)(F)C(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C14H12F7N3O2/c1-7-3-9(25-6-13(17,18)12(15)16)22-10(4-7)26-11-5-8(14(19,20)21)23-24(11)2/h3-5,12H,6H2,1-2H3
InChIKeyRZDWCHSFBIYKMQ-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.21
Rot. Bonds6

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

4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine (PubChem CID 12010270) has the molecular formula C14H12F7N3O2 and a molecular weight of 387.26 g/mol. Its IUPAC name is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine.

Molecular Properties

Compound Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine
PubChem CID12010270
Molecular FormulaC14H12F7N3O2
Molecular Weight387.26 g/mol
Exact Mass387.08
IUPAC Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine
SMILESCc1cc(OCC(F)(F)C(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C14H12F7N3O2/c1-7-3-9(25-6-13(17,18)12(15)16)22-10(4-7)26-11-5-8(14(19,20)21)23-24(11)2/h3-5,12H,6H2,1-2H3
InChIKeyRZDWCHSFBIYKMQ-UHFFFAOYSA-N
XLogP4.21
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine?
The IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine (CID 12010270) is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine.
What is the SMILES notation for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine?
The canonical SMILES for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine is Cc1cc(OCC(F)(F)C(F)F)nc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine?
The InChIKey is RZDWCHSFBIYKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F7N3O2/c1-7-3-9(25-6-13(17,18)12(15)16)22-10(4-7)26-11-5-8(14(19,20)21)23-24(11)2/h3-5,12H,6H2,1-2H3.
What are the key properties of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine?
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine has a molecular weight of 387.26 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-(2,2,3,3-tetrafluoropropoxy)pyridine is sourced from PubChem (CID 12010270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).