dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate

C16H13FK2N2O6 — CID 174189907

IUPACdipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate
SMILESCOc1ccc(COc2cc(F)c3c(c2)CNC3=O)nc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C15H13FN2O3.CH2O3.2K/c1-20-11-3-2-10(17-7-11)8-21-12-4-9-6-18-15(19)14(9)13(16)5-12;2-1(3)4;;/h2-5,7H,6,8H2,1H3,(H,18,19);(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyCGENMYRQYJHSBK-UHFFFAOYSA-L
MW426.48 g/mol
LogP-6.39
Rot. Bonds4

About dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate

dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate (PubChem CID 174189907) has the molecular formula C16H13FK2N2O6 and a molecular weight of 426.48 g/mol. Its IUPAC name is dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate.

Molecular Properties

Compound Namedipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate
PubChem CID174189907
Molecular FormulaC16H13FK2N2O6
Molecular Weight426.48 g/mol
Exact Mass426.00
IUPAC Namedipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate
SMILESCOc1ccc(COc2cc(F)c3c(c2)CNC3=O)nc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C15H13FN2O3.CH2O3.2K/c1-20-11-3-2-10(17-7-11)8-21-12-4-9-6-18-15(19)14(9)13(16)5-12;2-1(3)4;;/h2-5,7H,6,8H2,1H3,(H,18,19);(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyCGENMYRQYJHSBK-UHFFFAOYSA-L
XLogP-6.39
TPSA123.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 5-6.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate?
The IUPAC name of dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate (CID 174189907) is dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate.
What is the SMILES notation for dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate?
The canonical SMILES for dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate is COc1ccc(COc2cc(F)c3c(c2)CNC3=O)nc1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate?
The InChIKey is CGENMYRQYJHSBK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H13FN2O3.CH2O3.2K/c1-20-11-3-2-10(17-7-11)8-21-12-4-9-6-18-15(19)14(9)13(16)5-12;2-1(3)4;;/h2-5,7H,6,8H2,1H3,(H,18,19);(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate?
dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate has a molecular weight of 426.48 g/mol, XLogP of -6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate is sourced from PubChem (CID 174189907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).