6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline

C15H9ClF3N3O — CID 171090669

IUPAC6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cnc2ccc(COc3cnnc(Cl)c3)cc2c1
InChIInChI=1S/C15H9ClF3N3O/c16-14-5-12(7-21-22-14)23-8-9-1-2-13-10(3-9)4-11(6-20-13)15(17,18)19/h1-7H,8H2
InChIKeyBCIPHOKYRSMDEL-UHFFFAOYSA-N
MW339.70 g/mol
LogP4.28
Rot. Bonds3

About 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline

6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline (PubChem CID 171090669) has the molecular formula C15H9ClF3N3O and a molecular weight of 339.70 g/mol. Its IUPAC name is 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline
PubChem CID171090669
Molecular FormulaC15H9ClF3N3O
Molecular Weight339.70 g/mol
Exact Mass339.04
IUPAC Name6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cnc2ccc(COc3cnnc(Cl)c3)cc2c1
InChIInChI=1S/C15H9ClF3N3O/c16-14-5-12(7-21-22-14)23-8-9-1-2-13-10(3-9)4-11(6-20-13)15(17,18)19/h1-7H,8H2
InChIKeyBCIPHOKYRSMDEL-UHFFFAOYSA-N
XLogP4.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline?
The IUPAC name of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline (CID 171090669) is 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline?
The canonical SMILES for 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline is FC(F)(F)c1cnc2ccc(COc3cnnc(Cl)c3)cc2c1.
What is the InChIKey of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline?
The InChIKey is BCIPHOKYRSMDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O/c16-14-5-12(7-21-22-14)23-8-9-1-2-13-10(3-9)4-11(6-20-13)15(17,18)19/h1-7H,8H2.
What are the key properties of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline?
6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline has a molecular weight of 339.70 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline is sourced from PubChem (CID 171090669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).