methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate

C11H10F3N2O3P — CID 164838814

IUPACmethoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate
SMILESCOP(=O)([O-])c1c[n+](C)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3N2O3P/c1-16-6-10(20(17,18)19-2)8-5-7(11(12,13)14)3-4-9(8)15-16/h3-6H,1-2H3
InChIKeyUJRUEEBUPWMRKG-UHFFFAOYSA-N
MW306.18 g/mol
LogP0.90
Rot. Bonds2

About methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate

methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate (PubChem CID 164838814) has the molecular formula C11H10F3N2O3P and a molecular weight of 306.18 g/mol. Its IUPAC name is methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate.

Molecular Properties

Compound Namemethoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate
PubChem CID164838814
Molecular FormulaC11H10F3N2O3P
Molecular Weight306.18 g/mol
Exact Mass306.04
IUPAC Namemethoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate
SMILESCOP(=O)([O-])c1c[n+](C)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3N2O3P/c1-16-6-10(20(17,18)19-2)8-5-7(11(12,13)14)3-4-9(8)15-16/h3-6H,1-2H3
InChIKeyUJRUEEBUPWMRKG-UHFFFAOYSA-N
XLogP0.90
TPSA66.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dimethylcinnolin-1-ium iodide
CID 36195
(2-benzyl-2H-indazol-5-yl)difluoromethylphosphonic acid
CID 46878745
Diethyl 1-(quinolin-6-yl)ethenylphosphonate
CID 23421663
1-Methylcinnolin-1-iumiodide
CID 20087544
[6-(Trifluoromethyl)quinolin-4-yl]phosphonic acid
CID 18921543
6-Trifluoromethyl-quinoline-3-phosphonic acid diethyl ester
CID 23206536
6-Trifluoromethyl-quinoline-4-phosphonic acid diethyl ester
CID 23206554
Butan-2-yloxy-[6-(trifluoromethyl)quinolin-3-yl]phosphinic acid
CID 88336257
Butan-2-yloxy-[6-(trifluoromethyl)quinolin-4-yl]phosphinic acid
CID 88336369
2-[6-(Trifluoromethyl)cinnolin-2-ium-2-yl]ethanesulfonate
CID 147359709
2-[8-(Trifluoromethyl)cinnolin-2-ium-2-yl]ethanesulfonate
CID 153194108
2-(Diethoxyphosphorylmethyl)cinnolin-2-ium;methyl 2,2,2-trifluoroacetate
CID 153614481

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate?
The IUPAC name of methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate (CID 164838814) is methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate.
What is the SMILES notation for methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate?
The canonical SMILES for methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate is COP(=O)([O-])c1c[n+](C)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate?
The InChIKey is UJRUEEBUPWMRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N2O3P/c1-16-6-10(20(17,18)19-2)8-5-7(11(12,13)14)3-4-9(8)15-16/h3-6H,1-2H3.
What are the key properties of methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate?
methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate has a molecular weight of 306.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-methyl-6-(trifluoromethyl)cinnolin-2-ium-4-yl]phosphinate is sourced from PubChem (CID 164838814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).