3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C18H23F4N3O7 — CID 171557884

IUPAC3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.COC1=NNC(C(=O)O)C=C1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H8N2O3.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-11-5-3-2-4(6(9)10)7-8-5;1-4-6(8)5(7)2-3-9-4/h1-3H;2-4,7H,1H3,(H,9,10);4-8H,2-3H2,1H3
InChIKeyKMTOEYUAKMWLRW-UHFFFAOYSA-N
MW469.39 g/mol
LogP1.44
Rot. Bonds2

About 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 171557884) has the molecular formula C18H23F4N3O7 and a molecular weight of 469.39 g/mol. Its IUPAC name is 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound Name3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID171557884
Molecular FormulaC18H23F4N3O7
Molecular Weight469.39 g/mol
Exact Mass469.15
IUPAC Name3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC1OCCC(O)C1O.COC1=NNC(C(=O)O)C=C1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C6H3F4NO.C6H8N2O3.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-11-5-3-2-4(6(9)10)7-8-5;1-4-6(8)5(7)2-3-9-4/h1-3H;2-4,7H,1H3,(H,9,10);4-8H,2-3H2,1H3
InChIKeyKMTOEYUAKMWLRW-UHFFFAOYSA-N
XLogP1.44
TPSA142.73 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.39
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-6-(trifluoromethyl)pyridine;methyl 3-[2-[(2R)-4,5-dihydroxy-6-methyloxan-2-yl]ethyl]-1,6-dihydropyridazine-6-carboxylate
CID 171556889
4-Cyclobutyl-2-methyl-3-[(2-methylpropan-2-yl)oxy]oxane;ethane;3-prop-2-ynoxy-1,6-dihydropyridazine-6-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558037
2-(Aminomethyl)oxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 171558141
6-Amino-2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007713

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 171557884) is 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC1OCCC(O)C1O.COC1=NNC(C(=O)O)C=C1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is KMTOEYUAKMWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO.C6H8N2O3.C6H12O3/c7-6(8,9)4-2-1-3-5(11-4)12-10;1-11-5-3-2-4(6(9)10)7-8-5;1-4-6(8)5(7)2-3-9-4/h1-3H;2-4,7H,1H3,(H,9,10);4-8H,2-3H2,1H3.
What are the key properties of 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 469.39 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,6-dihydropyridazine-6-carboxylic acid;2-methyloxane-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 171557884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).