2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline

C14H10F3N3O — CID 166393711

IUPAC2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1ccc2nc(-c3cn[nH]c3)ccc2c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)8-21-11-2-4-12-9(5-11)1-3-13(20-12)10-6-18-19-7-10/h1-7H,8H2,(H,18,19)
InChIKeyZUDHMLKAASPWLD-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.57
Rot. Bonds3

About 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline

2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 166393711) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline
PubChem CID166393711
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1ccc2nc(-c3cn[nH]c3)ccc2c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)8-21-11-2-4-12-9(5-11)1-3-13(20-12)10-6-18-19-7-10/h1-7H,8H2,(H,18,19)
InChIKeyZUDHMLKAASPWLD-UHFFFAOYSA-N
XLogP3.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline (CID 166393711) is 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline is FC(F)(F)COc1ccc2nc(-c3cn[nH]c3)ccc2c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is ZUDHMLKAASPWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)8-21-11-2-4-12-9(5-11)1-3-13(20-12)10-6-18-19-7-10/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline?
2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 293.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 166393711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).